3-methyl-8-(2-methylpiperidin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpiperidin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-(2-methyl-1-piperidyl)-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-(2-methyl-1-piperidinyl)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(2-methylpiperidin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-(2-methylpiperidino)-7-(3-phenylpropyl)xanthine Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCCCN1C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H27N5O2/c1-15-9-6-7-13-25(15)20-22-18-17(19(27)23-21(28)24(18)2)26(20)14-8-12-16-10-4-3-5-11-16/h3-5,10-11,15H,6-9,12-14H2,1-2H3,(H,23,27,28)