8-[3,4-(메틸렌비스옥시)스티릴]테오필린
1H-Purine-2,6-dione, 8-((1E)-2-(1,3-benzodioxol-5-yl)ethenyl)-3,7-dihydro-1,3-dimethyl-
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기본 정보
- CAS
155271-18-4- 표준 SMILES
Cn1c(=O)c2[nH]c(/C=C/c3ccc4c(c3)OCO4)nc2n(C)c1=O- InChIKey
AVFMEQZKKIUQAF-GQCTYLIASA-N- 분자식
- C16H14N4O4
- 평균 분자량
- 326.31 g/mol
- 단동위원소 질량
- 326.10150493
이름 및 식별자
- 우선 이름
- 1H-Purine-2,6-dione, 8-((1E)-2-(1,3-benzodioxol-5-yl)ethenyl)-3,7-dihydro-1,3-dimethyl-
- IUPAC
- 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione
- 현지명
- 8-[3,4-(메틸렌비스옥시)스티릴]테오필린
- 영어명
- 8-[3,4-(Methylenebisoxy)styryl]theophyline
- 분자식
- C16H14N4O4
- 분자량
- 326.31
이름 및 동의어
155271-18-4DTXSID8011257521H-Purine-2,6-dione, 8-((1E)-2-(1,3-benzodioxol-5-yl)ethenyl)-3,7-dihydro-1,3-dimethyl-1H-Purine-2,6-dione, 8-[(1E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3,7-dihydro-1,3-dimethyl-RefChem:1058454DTXCID301557269(E)-8-(3,4-Methylenedioxystyryl)theophylline73908-79-98-(3,4-(Methylenedioxy)styryl)theophylline(E)-8-(2-(1,3-Benzodioxol-5-yl)ethenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,3-benzodioxol-5-yl)ethenyl)-1,3-dimethyl-, (E)-8-[3,4-(Methylenedioxy)styryl]theophylline
이름 더 보기
8-[3,4-(메틸렌비스옥시)스티릴]테오필린8-[3,4-(Methylenebisoxy)styryl]theophyline1,3-Dimethyl-8-[3,4-(methylenebisoxy)styryl]-1H-purine-2,6(3H,7H)-dione1H-Purine-2,6-dione, 8-[2-(1,3-benzodioxol-5-yl)ethenyl]-3,9-dihydro-1,3-dimethyl-
MLS002703890Theophylline, 8-(3,4-(methylenedioxy)styryl)-NSC 106220NSC106220SCHEMBL73054848-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dioneAVFMEQZKKIUQAF-GQCTYLIASA-N8-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
데이터베이스 식별자
- CAS
155271-18-4、73908-79-9- PubChem CID
- 6062002
- DTXSID
DTXSID801125752- Nikkaji
- J130.103I
물성
구조 계산 물성보충 중
- XLogP
- 1.7
- 극성 표면적
- 87.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 568
관련 반응
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