8-(2-hydroxyethylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-3,7-dimethyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-3,7-dimethyl-1-(4-methylbenzyl)xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)NCCO)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)NCCO)N(C2=O)C

InChI

InChI=1S/C17H21N5O3/c1-11-4-6-12(7-5-11)10-22-15(24)13-14(21(3)17(22)25)19-16(20(13)2)18-8-9-23/h4-7,23H,8-10H2,1-3H3,(H,18,19)