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

Systemtic Name: 3-methyl-8-(2-methylpropylamino)-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-(isobutylamino)-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-methylpropylamino)-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 1,7-dibenzyl-8-(isobutylamino)-3-methyl-xanthine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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