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

Systemtic Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-morpholino-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3,7-dimethyl-1-(4-methylbenzyl)-8-morpholino-xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N4CCOCC4)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N4CCOCC4)N(C2=O)C

InChI

InChI=1S/C19H23N5O3/c1-13-4-6-14(7-5-13)12-24-17(25)15-16(22(3)19(24)26)20-18(21(15)2)23-8-10-27-11-9-23/h4-7H,8-12H2,1-3H3