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

Systemtic Name: (phenylmethyl) 2-[[6-azanyl-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-5-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-4-keto-5-(p-toluoylamino)-1H-pyrimidin-2-yl]thio]acetic acid benzyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C21H20N4O4S/c1-13-7-9-15(10-8-13)19(27)23-17-18(22)24-21(25-20(17)28)30-12-16(26)29-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,27)(H3,22,24,25,28)