ethyl 4-[[6-azanyl-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[6-azanyl-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[6-amino-5-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 4-[[6-amino-4-keto-5-(p-toluoylamino)-1H-pyrimidin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-3-27-13(24)8-12(23)9-28-18-21-15(19)14(17(26)22-18)20-16(25)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,20,25)(H3,19,21,22,26)