1,3-dimethyl-7-(3-methylbutyl)-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-isopentyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-isoamyl-1,3-dimethyl-xanthine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H27N5O2/c1-14(2)11-12-25-16-17(23(4)20(27)24(5)18(16)26)21-19(25)22(3)13-15-9-7-6-8-10-15/h6-10,14H,11-13H2,1-5H3