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

Systemtic Name: 1-[7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-2,6-dioxo-purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[7-[2-(1H-benzimidazol-2-ylthio)ethyl]-3-methyl-2,6-dioxo-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[7-[2-(1H-benzimidazol-2-ylthio)ethyl]-2,6-diketo-3-methyl-purin-8-yl]isonipecotamide Formula: C21H24N8O3S MolecularWeight: 468.53206

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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=NC5=CC=CC=C5N4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H24N8O3S/c1-27-17-15(18(31)26-21(27)32)29(20(25-17)28-8-6-12(7-9-28)16(22)30)10-11-33-19-23-13-4-2-3-5-14(13)24-19/h2-5,12H,6-11H2,1H3,(H2,22,30)(H,23,24)(H,26,31,32)