ethyl 2-methylsulfanyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-(4-pyrrolidin-1-ylsulfonylanilino)pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-(1-pyrrolidinylsulfonyl)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-(4-pyrrolidin-1-ylsulfonylanilino)pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(4-pyrrolidinosulfonylanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)SC

InChI

InChI=1S/C18H22N4O4S2/c1-3-26-17(23)15-12-19-18(27-2)21-16(15)20-13-6-8-14(9-7-13)28(24,25)22-10-4-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,20,21)