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

Systemtic Name: 7-cyano-6-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 7-cyano-4-oxo-6-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-6-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 7-cyano-6-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 7-cyano-4-keto-6-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]thio]-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C17H13N4O3S2- MolecularWeight: 385.44012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

InChI

InChI=1S/C17H14N4O3S2/c1-9-2-4-10(5-3-9)7-19-12(22)8-25-16-11(6-18)13-14(26-16)15(23)21-17(24)20-13/h2-5H,7-8H2,1H3,(H,19,22)(H2,20,21,23,24)/p-1