ethyl 4-azanyl-2-[2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18N6O5S MolecularWeight: 454.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C20H18N6O5S/c1-2-30-19(29)12-8-23-20(26-17(12)22)32-10-16(28)31-9-15(27)11(7-21)18-24-13-5-3-4-6-14(13)25-18/h3-6,8,24-25H,2,9-10H2,1H3,(H2,22,23,26)