ethyl 4-[(diphenylmethyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(diphenylmethyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(benzhydrylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(diphenylmethyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzhydrylamino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(benzhydrylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(C2=CC=CC=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(C2=CC=CC=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C21H21N3O2S/c1-3-26-20(25)17-14-22-21(27-2)24-19(17)23-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,18H,3H2,1-2H3,(H,22,23,24)