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

Systemtic Name: propan-2-yl 5-methyl-4-[(4-thiocyanatophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O2S2/c1-10(2)24-18(23)15-11(3)14-16(20-9-21-17(14)26-15)22-12-4-6-13(7-5-12)25-8-19/h4-7,9-10H,1-3H3,(H,20,21,22)