methyl 5-methyl-4-[(4-thiocyanatophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-4-[(4-thiocyanatophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-(4-thiocyanatoanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-thiocyanatoanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-(4-thiocyanatoanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-thiocyanatoanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H12N4O2S2 MolecularWeight: 356.42208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)SC#N)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)SC#N)C(=O)OC

InChI

InChI=1S/C16H12N4O2S2/c1-9-12-14(20-10-3-5-11(6-4-10)23-7-17)18-8-19-15(12)24-13(9)16(21)22-2/h3-6,8H,1-2H3,(H,18,19,20)