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

Systemtic Name: ethyl 2-[[6-azanyl-5-[(4-ethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-5-[[(4-ethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-3-25-11-7-5-10(6-8-11)15(23)19-13-14(18)20-17(21-16(13)24)27-9-12(22)26-4-2/h5-8H,3-4,9H2,1-2H3,(H,19,23)(H3,18,20,21,24)