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

Systemtic Name: 6-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-7-cyano-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 6-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 6-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]thio]-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 6-[[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]thio]-7-cyano-4-keto-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C16H10ClN4O3S2- MolecularWeight: 405.8586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N)Cl

InChI

InChI=1S/C16H11ClN4O3S2/c17-9-3-1-8(2-4-9)6-19-11(22)7-25-15-10(5-18)12-13(26-15)14(23)21-16(24)20-12/h1-4H,6-7H2,(H,19,22)(H2,20,21,23,24)/p-1