3-azanyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H14N4O4S2 MolecularWeight: 438.47956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N(C3=O)N)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N(C3=O)N)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S2/c21-23-19(26)15-10-17(13-4-2-1-3-5-13)30-18(15)22-20(23)29-11-16(25)12-6-8-14(9-7-12)24(27)28/h1-10H,11,21H2