ethyl 4-[(3,4-dichlorophenyl)carbamoylamino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3,4-dichlorophenyl)carbamoylamino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-[(3,4-dichlorophenyl)carbamoylamino]pyrimidine-5-carboxylate CAS Name: 4-[[(3,4-dichloroanilino)-oxomethyl]amino]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-[(3,4-dichlorophenyl)carbamoylamino]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-[(3,4-dichlorophenyl)carbamoylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18Cl2N4O3S MolecularWeight: 477.36362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C21H18Cl2N4O3S/c1-2-30-19(28)15-11-24-21(31-12-13-6-4-3-5-7-13)27-18(15)26-20(29)25-14-8-9-16(22)17(23)10-14/h3-11H,2,12H2,1H3,(H2,24,25,26,27,29)