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

Systemtic Name: 1-[3-methyl-2,6-bis(oxidanylidene)-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[3-methyl-2,6-dioxo-7-[2-(2-pyrimidinylthio)ethyl]-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-3-methyl-7-[2-(2-pyrimidylthio)ethyl]purin-8-yl]isonipecotamide Formula: C18H22N8O3S MolecularWeight: 430.48408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NC=CC=N4

InChI

InChI=1S/C18H22N8O3S/c1-24-14-12(15(28)23-18(24)29)26(9-10-30-16-20-5-2-6-21-16)17(22-14)25-7-3-11(4-8-25)13(19)27/h2,5-6,11H,3-4,7-10H2,1H3,(H2,19,27)(H,23,28,29)