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

Systemtic Name: methyl 2-[[6-azanyl-5-[(4-bromophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: methyl 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: 2-[[6-amino-5-[[(4-bromophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]butyric acid methyl ester Formula: C16H17BrN4O4S MolecularWeight: 441.29958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O4S/c1-3-10(15(24)25-2)26-16-20-12(18)11(14(23)21-16)19-13(22)8-4-6-9(17)7-5-8/h4-7,10H,3H2,1-2H3,(H,19,22)(H3,18,20,21,23)