1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-, (E)-
기본 정보
- CAS
155814-27-0- 표준 SMILES
C=CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3)nc2n(CC=C)c1=O- InChIKey
CPKFTMZBSCSJGD-CSKARUKUSA-N- 분자식
- C21H22N4O4
- 평균 분자량
- 394.4 g/mol
이름 및 식별자
- 우선 이름
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-, (E)-
- IUPAC
- 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-bis(prop-2-enyl)-7H-purine-2,6-dione
- 영어명
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1, 3-di-2-propenyl-, (E)-
- 분자식
- C21H22N4O4
- 분자량
- 394.42
이름 및 동의어
155814-27-01H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-, (E)-RefChem:1058412(E)-1,3-Diallyl-8-(3,4-dimethoxystyryl)xanthine(E)-8-(2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-3,7-dihydro-1H-purine-2,6-dioneCPKFTMZBSCSJGD-CSKARUKUSA-N8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-bis(prop-2-enyl)-7H-purine-2,6-dioneSCHEMBL77225321H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1, 3-di-2-propenyl-, (E)-1H-Purine-2,6-dione, 8-[2-(3,4-dimethoxyphenyl)ethenyl]-3,7-dihydro-1,3-di-2-propenyl-, (E)- (9CI)
데이터베이스 식별자
- CAS
155814-27-0- PubChem CID
- 6448972
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 87.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 667
관련 반응
3건
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