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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3-methyl-8-morpholino-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-morpholino-xanthine Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C18H21N5O3/c1-12-4-3-5-13(10-12)11-23-14-15(21(2)18(25)20-16(14)24)19-17(23)22-6-8-26-9-7-22/h3-5,10H,6-9,11H2,1-2H3,(H,20,24,25)