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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H27N5O2/c1-4-5-6-10-13-25-16-17(24(3)20(27)22-18(16)26)21-19(25)23(2)14-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3,(H,22,26,27)