ethyl 1-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(4-butylanilino)-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(4-butylanilino)-2-oxoethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-butylanilino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-(4-butylanilino)-2-keto-ethyl]-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SC)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SC)C(=O)OCC

InChI

InChI=1S/C20H25N3O4S/c1-4-6-7-14-8-10-15(11-9-14)22-17(24)13-23-18(25)16(19(26)27-5-2)12-21-20(23)28-3/h8-12H,4-7,13H2,1-3H3,(H,22,24)