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

Systemtic Name: methyl 3-azanyl-2-[(2-cyanophenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3C#N)N)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3C#N)N)C(=O)OC

InChI

InChI=1S/C17H14N4O3S2/c1-9-12-14(26-13(9)16(23)24-2)20-17(21(19)15(12)22)25-8-11-6-4-3-5-10(11)7-18/h3-6H,8,19H2,1-2H3