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

Systemtic Name: 2-methylpropyl 5-methyl-4-[(4-thiocyanatophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S2/c1-11(2)8-25-19(24)16-12(3)15-17(21-10-22-18(15)27-16)23-13-4-6-14(7-5-13)26-9-20/h4-7,10-11H,8H2,1-3H3,(H,21,22,23)