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

Systemtic Name: ethyl 2-methylsulfanyl-4-[(4-phenylazanylphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-anilinoanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(4-anilinoanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-anilinoanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(4-anilinoanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)NC3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)NC3=CC=CC=C3)SC

InChI

InChI=1S/C20H20N4O2S/c1-3-26-19(25)17-13-21-20(27-2)24-18(17)23-16-11-9-15(10-12-16)22-14-7-5-4-6-8-14/h4-13,22H,3H2,1-2H3,(H,21,23,24)