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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(2-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(2-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(2-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(2-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-(2-methylpiperidino)xanthine Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCCCN1C2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H22ClN5O2/c1-12-7-5-6-10-24(12)18-21-16-15(17(26)22-19(27)23(16)2)25(18)11-13-8-3-4-9-14(13)20/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,22,26,27)