2-chloranyl-1-methyl-8-(3-methylbutyl)-7-(phenylmethyl)purin-6-one

Systemtic Name: 2-chloranyl-1-methyl-8-(3-methylbutyl)-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-chloro-8-isopentyl-1-methyl-purin-6-one CAS Name: 2-chloro-1-methyl-8-(3-methylbutyl)-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-chloro-1-methyl-8-(3-methylbutyl)purin-6-one Traditional Name: 7-benzyl-2-chloro-8-isoamyl-1-methyl-purin-6-one Formula: C18H21ClN4O MolecularWeight: 344.83854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)Cl)C

Isomeric SMILES

CC(C)CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)Cl)C

InChI

InChI=1S/C18H21ClN4O/c1-12(2)9-10-14-20-16-15(17(24)22(3)18(19)21-16)23(14)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3