4-[2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzamide Formula: C21H17N5O3S2 MolecularWeight: 451.52138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)N)N

InChI

InChI=1S/C21H17N5O3S2/c22-18(28)13-6-8-14(9-7-13)24-16(27)11-31-21-25-19-17(20(29)26(21)23)15(10-30-19)12-4-2-1-3-5-12/h1-10H,11,23H2,(H2,22,28)(H,24,27)