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

Systemtic Name: 8-cyclopentyl-6-[oxidanyl(1-pyridin-4-ylpropan-2-yl)amino]-3-propyl-7H-purin-2-one Openeye Name: 8-cyclopentyl-6-[hydroxy-[1-methyl-2-(4-pyridyl)ethyl]amino]-3-propyl-7H-purin-2-one CAS Name: 8-cyclopentyl-6-[hydroxy(1-pyridin-4-ylpropan-2-yl)amino]-3-propyl-7H-purin-2-one IUPAC Name: 8-cyclopentyl-6-[hydroxy(1-pyridin-4-ylpropan-2-yl)amino]-3-propyl-7H-purin-2-one Traditional Name: 8-cyclopentyl-6-[hydroxy-[1-methyl-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)N(C(C)CC3=CC=NC=C3)O)NC(=N2)C4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O2/c1-3-12-26-19-17(23-18(24-19)16-6-4-5-7-16)20(25-21(26)28)27(29)14(2)13-15-8-10-22-11-9-15/h8-11,14,16,29H,3-7,12-13H2,1-2H3,(H,23,24)