ethyl 4-[[6-azanyl-5-[(4-ethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[6-azanyl-5-[(4-ethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[6-amino-5-[[(4-ethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 4-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)CC(=O)OCC)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)CC(=O)OCC)N

InChI

InChI=1S/C19H22N4O6S/c1-3-28-13-7-5-11(6-8-13)17(26)21-15-16(20)22-19(23-18(15)27)30-10-12(24)9-14(25)29-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,21,26)(H3,20,22,23,27)