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

Systemtic Name: 3,7-dimethyl-8-[methyl-(phenylmethyl)amino]-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-[benzyl(methyl)amino]-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-[methyl-(phenylmethyl)amino]-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-[benzyl(methyl)amino]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-[benzyl(methyl)amino]-3,7-dimethyl-xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H23N5O2/c1-24(14-16-10-6-4-7-11-16)21-23-19-18(25(21)2)20(28)27(22(29)26(19)3)15-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3