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

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[1,3-dimethyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[1,3-dimethyl-2,6-dioxo-7-[2-(2-pyrimidinylthio)ethyl]-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dimethyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-1,3-dimethyl-7-[2-(2-pyrimidylthio)ethyl]purin-8-yl]isonipecotamide Formula: C19H24N8O3S MolecularWeight: 444.51066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NC=CC=N4

InChI

InChI=1S/C19H24N8O3S/c1-24-15-13(16(29)25(2)19(24)30)27(10-11-31-17-21-6-3-7-22-17)18(23-15)26-8-4-12(5-9-26)14(20)28/h3,6-7,12H,4-5,8-11H2,1-2H3,(H2,20,28)