ethyl 2-(cyanomethylsulfanyl)-3-(furan-2-ylmethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(cyanomethylsulfanyl)-3-(furan-2-ylmethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(cyanomethylsulfanyl)-3-(2-furylmethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(cyanomethylthio)-3-(2-furanylmethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyanomethylsulfanyl)-3-(furan-2-ylmethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(cyanomethylthio)-3-(2-furfuryl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC#N)C

InChI

InChI=1S/C17H15N3O4S2/c1-3-23-16(22)13-10(2)12-14(26-13)19-17(25-8-6-18)20(15(12)21)9-11-5-4-7-24-11/h4-5,7H,3,8-9H2,1-2H3