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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(2-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-8-(2-methyl-1-piperidyl)-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(2-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(2-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(2-methylpiperidino)xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCCCN1C2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H25N5O2/c1-13-7-6-9-15(11-13)12-25-16-17(23(3)20(27)22-18(16)26)21-19(25)24-10-5-4-8-14(24)2/h6-7,9,11,14H,4-5,8,10,12H2,1-3H3,(H,22,26,27)