3-methyl-8-(methylamino)-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(methylamino)-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-methyl-8-(methylamino)purine-2,6-dione CAS Name: 3-methyl-8-(methylamino)-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-(methylamino)purine-2,6-dione Traditional Name: 1,7-dibenzyl-3-methyl-8-(methylamino)xanthine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

Isomeric SMILES

CNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2/c1-22-20-23-18-17(25(20)13-15-9-5-3-6-10-15)19(27)26(21(28)24(18)2)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,22,23)