3-methyl-8-(2-oxidanylpropylamino)-1,7-bis(phenylmethyl)-4,5-dihydropurine-2,6-dione

Systemtic Name: 3-methyl-8-(2-oxidanylpropylamino)-1,7-bis(phenylmethyl)-4,5-dihydropurine-2,6-dione Openeye Name: 1,7-dibenzyl-8-(2-hydroxypropylamino)-3-methyl-4,5-dihydropurine-2,6-dione CAS Name: 8-(2-hydroxypropylamino)-3-methyl-1,7-bis(phenylmethyl)-4,5-dihydropurine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-(2-hydroxypropylamino)-3-methyl-4,5-dihydropurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-(2-hydroxypropylamino)-3-methyl-4,5-dihydropurine-2,6-quinone Formula: C23H27N5O3 MolecularWeight: 421.49218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4)O

Isomeric SMILES

CC(CNC1=NC2C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H27N5O3/c1-16(29)13-24-22-25-20-19(27(22)14-17-9-5-3-6-10-17)21(30)28(23(31)26(20)2)15-18-11-7-4-8-12-18/h3-12,16,19-20,29H,13-15H2,1-2H3,(H,24,25)