7-cyano-6-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate

Systemtic Name: 7-cyano-6-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 7-cyano-6-[2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-6-[[2-[(3-methyl-5-isoxazolyl)amino]-2-oxoethyl]thio]-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 7-cyano-6-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 7-cyano-4-keto-6-[[2-keto-2-[(3-methylisoxazol-5-yl)amino]ethyl]thio]-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C13H8N5O4S2- MolecularWeight: 362.36372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N5O4S2/c1-5-2-8(22-18-5)15-7(19)4-23-12-6(3-14)9-10(24-12)11(20)17-13(21)16-9/h2H,4H2,1H3,(H,15,19)(H2,16,17,20,21)/p-1