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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-morpholin-4-ylethylamino)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-morpholinoethylamino)-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[2-(4-morpholinyl)ethylamino]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-morpholin-4-ylethylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(2-morpholinoethylamino)xanthine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCN4CCOCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCN4CCOCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H28N6O3/c1-15-5-4-6-16(13-15)14-27-17-18(24(2)21(29)25(3)19(17)28)23-20(27)22-7-8-26-9-11-30-12-10-26/h4-6,13H,7-12,14H2,1-3H3,(H,22,23)