1H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 2-amino-4,7-dihydro-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-(methylthio)-4-oxo-
기본 정보
- CAS
127945-63-5- 표준 SMILES
CSc1c(C(N)=O)c2c(=O)[nH]c(N)nc2n1COC(CO)CO- InChIKey
OGTQCEVFXKHHOI-UHFFFAOYSA-N- 분자식
- C12H17N5O5S
- 평균 분자량
- 343.36 g/mol
- 단동위원소 질량
- 343.09503983
이름 및 식별자
- 우선 이름
- 1H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 2-amino-4,7-dihydro-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-(methylthio)-4-oxo-
- IUPAC
- 2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-methylsulfanyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
이름 및 동의어
127945-63-57-NH2CO-8-MeS-Acyclic-7-deazaG1H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 2-amino-4,7-dihydro-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-(methylthio)-4-oxo-2-Amino-7-(((1,3-dihydroxypropan-2-yl)oxy)methyl)-6-(methylthio)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide2-Amino-5-(aminocarbonyl)-6-(methylthio)-7-((1,3-dihydroxy-2-propoxy)methyl)pyrrolo(2,3-d)pyrimidin-4-one1H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 2-amino-4,7-dihydro-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-(methylthio)-4-oxo-2-Amino-5-(aminocarbonyl)-6-(methylthio)-7-[(1,3-dihydroxy-2-propoxy)methyl]pyrrolo[2,3-d]pyrimidin-4-oneCHEMBL302080DTXSID301557342-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-methylsulfanyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide2-Amino-7-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6-(methylsulfanyl)-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
데이터베이스 식별자
- CAS
127945-63-5- PubChem CID
- 135538705
- DTXSID
DTXSID30155734- ChEMBL
CHEMBL302080- Nikkaji
- J336.634K
물성
구조 계산 물성
- XLogP
- -2.5
- 극성 표면적
- 190 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 500
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