3-methyl-7-[(3-methylphenyl)methyl]-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCCO)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCCO)N(C(=O)NC3=O)C

InChI

InChI=1S/C17H21N5O3/c1-11-5-3-6-12(9-11)10-22-13-14(19-16(22)18-7-4-8-23)21(2)17(25)20-15(13)24/h3,5-6,9,23H,4,7-8,10H2,1-2H3,(H,18,19)(H,20,24,25)