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

Systemtic Name: 6-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-7-cyano-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 6-[2-(4-tert-butylanilino)-2-oxo-ethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 6-[[2-(4-tert-butylanilino)-2-oxoethyl]thio]-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 6-[2-(4-tert-butylanilino)-2-oxoethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 6-[[2-(4-tert-butylanilino)-2-keto-ethyl]thio]-7-cyano-4-keto-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C19H17N4O3S2- MolecularWeight: 413.49328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S2/c1-19(2,3)10-4-6-11(7-5-10)21-13(24)9-27-17-12(8-20)14-15(28-17)16(25)23-18(26)22-14/h4-7H,9H2,1-3H3,(H,21,24)(H2,22,23,25,26)/p-1