N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]-4-keto-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17N5O4S/c1-2-11(23)18-13-12(19-14(24)9-6-4-3-5-7-9)15(25)21-16(20-13)26-8-10(17)22/h3-7H,2,8H2,1H3,(H2,17,22)(H,19,24)(H2,18,20,21,23,25)