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

Systemtic Name: ethyl 2-[[6-azanyl-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 2-[[6-amino-5-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 2-[[6-amino-4-keto-5-(p-toluoylamino)-1H-pyrimidin-2-yl]thio]propionic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H20N4O4S/c1-4-25-16(24)10(3)26-17-20-13(18)12(15(23)21-17)19-14(22)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3,(H,19,22)(H3,18,20,21,23)