(1-{9-[(4s,2r,3r,5r)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-n-ethylcarboxamide

HCID 9865924

기본 정보

표준 SMILES
CCNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
InChIKey
QFSPXHGURMNPTE-ORXWAGORSA-N
분자식
C16H20N8O5
평균 분자량
404.38 g/mol

이름 및 식별자

우선 이름
(1-{9-[(4s,2r,3r,5r)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-n-ethylcarboxamide
IUPAC
1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-ethylpyrazole-4-carboxamide

이름 및 동의어

CHEMBL99169QFSPXHGURMNPTE-ORXWAGORSA-NBDBM50119152(1-{9-[(4s,2r,3r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-n-ethylcarboxamide1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid ethylamide313348-33-3

데이터베이스 식별자

PubChem CID
9865924
ChEMBL
CHEMBL99169
Nikkaji
J1.806.401D

물성

구조 계산 물성

XLogP
-1.1
극성 표면적
186 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
10
회전 가능 결합 수
5
무거운 원자 수
29

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6건

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