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

Systemtic Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-nonyl-purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-nonylpurine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-3-methyl-7-nonyl-xanthine Formula: C23H33N5O2 MolecularWeight: 411.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H33N5O2/c1-4-5-6-7-8-9-13-16-28-19-20(27(3)23(30)25-21(19)29)24-22(28)26(2)17-18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16-17H2,1-3H3,(H,25,29,30)