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

Systemtic Name: (phenylmethyl) 2-[[6-azanyl-5-[(4-ethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C22H22N4O5S/c1-2-30-16-10-8-15(9-11-16)20(28)24-18-19(23)25-22(26-21(18)29)32-13-17(27)31-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,24,28)(H3,23,25,26,29)