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

Systemtic Name: (phenylmethyl) 2-[[6-azanyl-5-[(4-methoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[6-amino-5-[(4-methoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-5-[[(4-methoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[6-amino-5-[(4-methoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-4-keto-5-(p-anisoylamino)-1H-pyrimidin-2-yl]thio]acetic acid benzyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C21H20N4O5S/c1-29-15-9-7-14(8-10-15)19(27)23-17-18(22)24-21(25-20(17)28)31-12-16(26)30-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,23,27)(H3,22,24,25,28)