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

Systemtic Name: ethyl 2-[[6-azanyl-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H18N4O4S/c1-3-24-11(21)8-25-16-19-13(17)12(15(23)20-16)18-14(22)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,18,22)(H3,17,19,20,23)