ethyl 3-azanyl-2-[(2-cyanophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-azanyl-2-[(2-cyanophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-amino-2-[(2-cyanophenyl)methylsulfanyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-amino-2-[(2-cyanophenyl)methylthio]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-[(2-cyanophenyl)methylsulfanyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-amino-2-[(2-cyanobenzyl)thio]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)N)SCC3=CC=CC=C3C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)N)SCC3=CC=CC=C3C#N)C

InChI

InChI=1S/C18H16N4O3S2/c1-3-25-17(24)14-10(2)13-15(27-14)21-18(22(20)16(13)23)26-9-12-7-5-4-6-11(12)8-19/h4-7H,3,9,20H2,1-2H3