N-[6-acetamido-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-acetamido-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[6-acetamido-4-oxo-2-(3-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[6-acetamido-4-oxo-2-(3-pyridinylmethylthio)-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-acetamido-4-oxo-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-acetamido-4-keto-2-(3-pyridylmethylthio)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C17H15N5O3S2 MolecularWeight: 401.4627

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCC2=CN=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC2=CN=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H15N5O3S2/c1-10(23)19-14-13(20-15(24)12-5-3-7-26-12)16(25)22-17(21-14)27-9-11-4-2-6-18-8-11/h2-8H,9H2,1H3,(H,20,24)(H2,19,21,22,23,25)