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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-morpholinopropylamino)-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[3-(4-morpholinyl)propylamino]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(3-morpholinopropylamino)xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCCN4CCOCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCCN4CCOCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C22H30N6O3/c1-16-6-4-7-17(14-16)15-28-18-19(25(2)22(30)26(3)20(18)29)24-21(28)23-8-5-9-27-10-12-31-13-11-27/h4,6-7,14H,5,8-13,15H2,1-3H3,(H,23,24)