3-methyl-8-(4-methylpiperidin-1-yl)-7-phenacyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-phenacyl-purine-2,6-dione Openeye Name: 3-methyl-8-(4-methyl-1-piperidyl)-7-phenacyl-purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperidinyl)-7-phenacylpurine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-phenacylpurine-2,6-dione Traditional Name: 3-methyl-8-(4-methylpiperidino)-7-phenacyl-xanthine Formula: C20H23N5O3 MolecularWeight: 381.42832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H23N5O3/c1-13-8-10-24(11-9-13)19-21-17-16(18(27)22-20(28)23(17)2)25(19)12-15(26)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,22,27,28)