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

Systemtic Name: 1-[3-methyl-2,6-bis(oxidanylidene)-7-(2-phenylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[3-methyl-2,6-dioxo-7-(2-phenylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[3-methyl-2,6-dioxo-7-[2-(phenylthio)ethyl]-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-methyl-2,6-dioxo-7-(2-phenylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-3-methyl-7-[2-(phenylthio)ethyl]purin-8-yl]isonipecotamide Formula: C20H24N6O3S MolecularWeight: 428.50796

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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=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=CC=CC=C4

InChI

InChI=1S/C20H24N6O3S/c1-24-17-15(18(28)23-20(24)29)26(11-12-30-14-5-3-2-4-6-14)19(22-17)25-9-7-13(8-10-25)16(21)27/h2-6,13H,7-12H2,1H3,(H2,21,27)(H,23,28,29)