7-cyano-4-oxidanylidene-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-thieno[3,2-d]pyrimidin-2-olate

Systemtic Name: 7-cyano-4-oxidanylidene-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 6-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-4-oxo-6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 6-[[2-(benzylamino)-2-keto-ethyl]thio]-7-cyano-4-keto-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C16H11N4O3S2- MolecularWeight: 371.41354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

InChI

InChI=1S/C16H12N4O3S2/c17-6-10-12-13(14(22)20-16(23)19-12)25-15(10)24-8-11(21)18-7-9-4-2-1-3-5-9/h1-5H,7-8H2,(H,18,21)(H2,19,20,22,23)/p-1