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

Systemtic Name: ethyl 1-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-(4-butylanilino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(4-butylanilino)-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-(4-butylanilino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-(4-butylanilino)-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H29N3O4S/c1-3-5-9-19-12-14-21(15-13-19)28-23(30)17-29-24(31)22(25(32)33-4-2)16-27-26(29)34-18-20-10-7-6-8-11-20/h6-8,10-16H,3-5,9,17-18H2,1-2H3,(H,28,30)