1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(piperidin-1-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-(1-piperidylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(piperidinomethyl)xanthine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCCCC4

InChI

InChI=1S/C21H27N5O2/c1-15-8-7-9-16(12-15)13-26-17(14-25-10-5-4-6-11-25)22-19-18(26)20(27)24(3)21(28)23(19)2/h7-9,12H,4-6,10-11,13-14H2,1-3H3