[(3R)-3-cyano-5-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-4-oxidanylidene-pentan-2-ylidene]azanium

Systemtic Name: [(3R)-3-cyano-5-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-4-oxidanylidene-pentan-2-ylidene]azanium Openeye Name: [(2R)-2-cyano-4-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-methyl-3-oxo-butylidene]ammonium CAS Name: [(3R)-3-cyano-5-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-4-oxopentan-2-ylidene]ammonium IUPAC Name: [(3R)-3-cyano-5-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-4-oxopentan-2-ylidene]azanium Traditional Name: [(2R)-2-cyano-4-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-3-keto-1-methyl-butylidene]ammonium Formula: C16H19N4O2S2+ MolecularWeight: 363.47766

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)C(C#N)C(=[NH2+])C)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)[C@@H](C#N)C(=[NH2+])C)SC(=C2C)C

InChI

InChI=1S/C16H18N4O2S2/c1-5-20-15(22)13-8(2)10(4)24-14(13)19-16(20)23-7-12(21)11(6-17)9(3)18/h11,18H,5,7H2,1-4H3/p+1/t11-/m0/s1