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

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(2-phenylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[1,3-dimethyl-2,6-dioxo-7-(2-phenylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[1,3-dimethyl-2,6-dioxo-7-[2-(phenylthio)ethyl]-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dimethyl-2,6-dioxo-7-(2-phenylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-1,3-dimethyl-7-[2-(phenylthio)ethyl]purin-8-yl]isonipecotamide Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=CC=CC=C4

InChI

InChI=1S/C21H26N6O3S/c1-24-18-16(19(29)25(2)21(24)30)27(12-13-31-15-6-4-3-5-7-15)20(23-18)26-10-8-14(9-11-26)17(22)28/h3-7,14H,8-13H2,1-2H3,(H2,22,28)