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

Systemtic Name: ethyl 2-[[6-azanyl-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: 2-[[6-amino-5-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: 2-[[6-amino-4-keto-5-(p-toluoylamino)-1H-pyrimidin-2-yl]thio]butyric acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H22N4O4S/c1-4-12(17(25)26-5-2)27-18-21-14(19)13(16(24)22-18)20-15(23)11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3,(H,20,23)(H3,19,21,22,24)