1-[3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)-2,6-dioxo-purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[3-methyl-7-[2-methyl-3-(2-pyrimidinylthio)propyl]-2,6-dioxo-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-2,6-dioxopurin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-3-methyl-7-[2-methyl-3-(2-pyrimidylthio)propyl]purin-8-yl]isonipecotamide Formula: C20H26N8O3S MolecularWeight: 458.53724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C)CSC4=NC=CC=N4

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C)CSC4=NC=CC=N4

InChI

InChI=1S/C20H26N8O3S/c1-12(11-32-18-22-6-3-7-23-18)10-28-14-16(26(2)20(31)25-17(14)30)24-19(28)27-8-4-13(5-9-27)15(21)29/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H2,21,29)(H,25,30,31)