8-cyclopentyl-6-[(1-oxidanyl-3-pyridin-4-yl-propan-2-yl)amino]-3-propyl-7H-purin-2-one

Systemtic Name: 8-cyclopentyl-6-[(1-oxidanyl-3-pyridin-4-yl-propan-2-yl)amino]-3-propyl-7H-purin-2-one Openeye Name: 8-cyclopentyl-6-[[1-(hydroxymethyl)-2-(4-pyridyl)ethyl]amino]-3-propyl-7H-purin-2-one CAS Name: 8-cyclopentyl-6-[(1-hydroxy-3-pyridin-4-ylpropan-2-yl)amino]-3-propyl-7H-purin-2-one IUPAC Name: 8-cyclopentyl-6-[(1-hydroxy-3-pyridin-4-ylpropan-2-yl)amino]-3-propyl-7H-purin-2-one Traditional Name: 8-cyclopentyl-6-[[1-methylol-2-(4-pyridyl)ethyl]amino]-3-propyl-7H-purin-2-one Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)NC(CC3=CC=NC=C3)CO)NC(=N2)C4CCCC4

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)NC(CC3=CC=NC=C3)CO)NC(=N2)C4CCCC4

InChI

InChI=1S/C21H28N6O2/c1-2-11-27-20-17(24-18(25-20)15-5-3-4-6-15)19(26-21(27)29)23-16(13-28)12-14-7-9-22-10-8-14/h7-10,15-16,28H,2-6,11-13H2,1H3,(H,24,25)(H,23,26,29)