기본 정보
- CAS
155271-55-9- 표준 SMILES
CCn1c(=O)c2c(nc(/C=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])n2C)n(CC)c1=O- InChIKey
ASQMWQITGQMCQB-CMDGGOBGSA-N- 분자식
- C20H23N5O6
- 평균 분자량
- 429.4 g/mol
- 단동위원소 질량
- 429.16483347
이름 및 식별자
- 우선 이름
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4,5-dimethoxy-2-nitrophenyl)ethenyl)-7-methyl-, (E)-
- IUPAC
- 8-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
- 영어명
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4,5-dimethoxy-2-nit rophenyl)ethenyl)-7-methyl-, (E)-
- 분자식
- C20H23N5O6
- 분자량
- 429.43
이름 및 동의어
155271-55-91H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4,5-dimethoxy-2-nitrophenyl)ethenyl)-7-methyl-, (E)-RefChem:1058311(E)-8-(4,5-Dimethoxy-2-nitrostyryl)-1,3-diethyl-7-methylxanthine8-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dioneSCHEMBL73115711H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4,5-dimethoxy-2-nit rophenyl)ethenyl)-7-methyl-,1H-Purine-2,6-dione, 8-[(1E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-1,3-diethyl-3,7-dihydro-7-methyl-1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4,5-dimethoxy-2-nit rophenyl)ethenyl)-7-methyl-, (E)-
데이터베이스 식별자
- CAS
155271-55-9- PubChem CID
- 6448901
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 727
화학 및 산업
공급사2 곳
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
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