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

Systemtic Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-26(17-19-13-8-5-9-14-19)23-25-21-20(22(30)28(3)24(31)27(21)2)29(23)16-10-15-18-11-6-4-7-12-18/h4-9,11-14H,10,15-17H2,1-3H3