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

Systemtic Name: 2-methoxyethyl 5-methyl-4-[(4-thiocyanatophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S2/c1-11-14-16(22-12-3-5-13(6-4-12)26-9-19)20-10-21-17(14)27-15(11)18(23)25-8-7-24-2/h3-6,10H,7-8H2,1-2H3,(H,20,21,22)