3-[2-(3-aminopyrrolidin-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(4-ethyltriazol-2-yl)cyclopentane-1,2-diol

HCID 178437223

기본 정보

표준 SMILES: CCc1cnn(C2CC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(N)C5)nc43)C(O)C2O)n1
InChIKey: QBWZRILSETXTMN-UHFFFAOYSA-N
분자식: C32H38N10O2
평균 분자량: 594.7 g/mol
단동위원소 질량: 594.31792049

IUPAC: 3-[2-(3-aminopyrrolidin-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(4-ethyltriazol-2-yl)cyclopentane-1,2-diol

7건

HRID 180157반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 289742생성물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 812318반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 1117008반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1126356반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1214976반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2318383반응물로Training data from https://doi.org/10.1039/C8SC04228D (10/10)

불러오는 중…

표준 SMILES: CCc1cnn(C2CC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(N)C5)nc43)C(O)C2O)n1
InChIKey: QBWZRILSETXTMN-UHFFFAOYSA-N
분자식: C32H38N10O2
평균 분자량: 594.7 g/mol
단동위원소 질량: 594.31792049

IUPAC: 3-[2-(3-aminopyrrolidin-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(4-ethyltriazol-2-yl)cyclopentane-1,2-diol

7건