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

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(thiophen-2-ylmethylamino)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(p-tolylmethyl)-8-(2-thienylmethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(thiophen-2-ylmethylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(thiophen-2-ylmethylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-(2-thenylamino)xanthine Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC4=CC=CS4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC4=CC=CS4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H21N5O2S/c1-13-6-8-14(9-7-13)12-25-16-17(23(2)20(27)24(3)18(16)26)22-19(25)21-11-15-5-4-10-28-15/h4-10H,11-12H2,1-3H3,(H,21,22)