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

Systemtic Name: 1-[7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-2,6-dioxo-purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[7-[3-(1,3-benzothiazol-2-ylthio)propyl]-3-methyl-2,6-dioxo-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[7-[3-(1,3-benzothiazol-2-ylthio)propyl]-2,6-diketo-3-methyl-purin-8-yl]isonipecotamide Formula: C22H25N7O3S2 MolecularWeight: 499.609

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCCSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCCSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H25N7O3S2/c1-27-18-16(19(31)26-21(27)32)29(20(25-18)28-10-7-13(8-11-28)17(23)30)9-4-12-33-22-24-14-5-2-3-6-15(14)34-22/h2-3,5-6,13H,4,7-12H2,1H3,(H2,23,30)(H,26,31,32)