2-chloranyl-8-(cyclopentylmethyl)-1-methyl-7-(phenylmethyl)purin-6-one

Systemtic Name: 2-chloranyl-8-(cyclopentylmethyl)-1-methyl-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-chloro-8-(cyclopentylmethyl)-1-methyl-purin-6-one CAS Name: 2-chloro-8-(cyclopentylmethyl)-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-chloro-8-(cyclopentylmethyl)-1-methylpurin-6-one Traditional Name: 7-benzyl-2-chloro-8-(cyclopentylmethyl)-1-methyl-purin-6-one Formula: C19H21ClN4O MolecularWeight: 356.84924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4CCCC4)N=C1Cl

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4CCCC4)N=C1Cl

InChI

InChI=1S/C19H21ClN4O/c1-23-18(25)16-17(22-19(23)20)21-15(11-13-7-5-6-8-13)24(16)12-14-9-3-2-4-10-14/h2-4,9-10,13H,5-8,11-12H2,1H3