ethyl 4-(2-chlorophenyl)-2-oxidanylidene-6-[(thiophen-2-ylmethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-oxidanylidene-6-[(thiophen-2-ylmethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-oxo-6-[(2-thienylmethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-chlorophenyl)-2-oxo-6-[(thiophen-2-ylmethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-oxo-6-[(thiophen-2-ylmethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-keto-6-[(2-thenylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)CNCC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)CNCC3=CC=CS3

InChI

InChI=1S/C19H20ClN3O3S/c1-2-26-18(24)16-15(11-21-10-12-6-5-9-27-12)22-19(25)23-17(16)13-7-3-4-8-14(13)20/h3-9,17,21H,2,10-11H2,1H3,(H2,22,23,25)