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

Systemtic Name: N-[6-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-[(2-amino-2-oxoethyl)thio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-(2-amino-2-oxoethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-2-[(2-amino-2-keto-ethyl)thio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N)N

InChI

InChI=1S/C13H13N5O3S/c14-8(19)6-22-13-17-10(15)9(12(21)18-13)16-11(20)7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,19)(H,16,20)(H3,15,17,18,21)