3-(hydroxymethyl)-3-[6-[(1-isoquinolin-1-ylpyrrolidin-3-yl)amino]purin-9-yl]cyclopentane-1,2-diol

Systemtic Name: 3-(hydroxymethyl)-3-[6-[(1-isoquinolin-1-ylpyrrolidin-3-yl)amino]purin-9-yl]cyclopentane-1,2-diol Openeye Name: 3-(hydroxymethyl)-3-[6-[[1-(1-isoquinolyl)pyrrolidin-3-yl]amino]purin-9-yl]cyclopentane-1,2-diol CAS Name: 3-(hydroxymethyl)-3-[6-[[1-(1-isoquinolinyl)-3-pyrrolidinyl]amino]-9-purinyl]cyclopentane-1,2-diol IUPAC Name: 3-(hydroxymethyl)-3-[6-[(1-isoquinolin-1-ylpyrrolidin-3-yl)amino]purin-9-yl]cyclopentane-1,2-diol Traditional Name: 3-[6-[[1-(1-isoquinolyl)pyrrolidin-3-yl]amino]purin-9-yl]-3-methylol-cyclopentane-1,2-diol Formula: C24H27N7O3 MolecularWeight: 461.51628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1O)O)(CO)N2C=NC3=C2N=CN=C3NC4CCN(C4)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

C1CC(C(C1O)O)(CO)N2C=NC3=C2N=CN=C3NC4CCN(C4)C5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C24H27N7O3/c32-12-24(8-5-18(33)20(24)34)31-14-28-19-21(26-13-27-23(19)31)29-16-7-10-30(11-16)22-17-4-2-1-3-15(17)6-9-25-22/h1-4,6,9,13-14,16,18,20,32-34H,5,7-8,10-12H2,(H,26,27,29)