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

Systemtic Name: ethyl 4-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-(4-butylanilino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(4-butylanilino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-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)CSC2=NC(=O)NC(=C2C(=O)OCC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NC(=C2C(=O)OCC)C

InChI

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