2-[6-azanyl-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-8-yl]propan-2-ol hydrochloride

Systemtic Name: 2-[6-azanyl-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-8-yl]propan-2-ol hydrochloride Openeye Name: 2-[6-amino-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]purin-8-yl]propan-2-ol hydrochloride CAS Name: 2-[6-amino-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-purinyl]-2-propanol hydrochloride IUPAC Name: 2-[6-amino-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]purin-8-yl]propan-2-ol hydrochloride Traditional Name: 2-[6-amino-3-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-8-yl]propan-2-ol hydrochloride Formula: C21H28ClN5O3 MolecularWeight: 433.93172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N)O.Cl

Isomeric SMILES

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N)O.Cl

InChI

InChI=1S/C21H27N5O3.ClH/c1-21(2,27)20-24-17-18(22)23-12-26(19(17)25-20)11-13-8-9-15(28-3)16(10-13)29-14-6-4-5-7-14;/h8-10,12,14,27H,4-7,11,22H2,1-3H3;1H