2-chloranyl-8-methyl-9-(phenylmethyl)-1-propan-2-yl-purin-6-one

Systemtic Name: 2-chloranyl-8-methyl-9-(phenylmethyl)-1-propan-2-yl-purin-6-one Openeye Name: 9-benzyl-2-chloro-1-isopropyl-8-methyl-purin-6-one CAS Name: 2-chloro-8-methyl-9-(phenylmethyl)-1-propan-2-yl-6-purinone IUPAC Name: 9-benzyl-2-chloro-8-methyl-1-propan-2-ylpurin-6-one Traditional Name: 9-benzyl-2-chloro-1-isopropyl-8-methyl-purin-6-one Formula: C16H17ClN4O MolecularWeight: 316.78538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N(C2=O)C(C)C)Cl

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N(C2=O)C(C)C)Cl

InChI

InChI=1S/C16H17ClN4O/c1-10(2)21-15(22)13-14(19-16(21)17)20(11(3)18-13)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3