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

Systemtic Name: ethyl 2-[[6-azanyl-5-[(4-ethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 2-[[6-amino-5-[[(4-ethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]propionic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-4-26-12-8-6-11(7-9-12)15(23)20-13-14(19)21-18(22-16(13)24)28-10(3)17(25)27-5-2/h6-10H,4-5H2,1-3H3,(H,20,23)(H3,19,21,22,24)