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

Systemtic Name: 2-[[6-azanyl-5-[(4-bromophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoic acid Openeye Name: 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoic acid CAS Name: 2-[[6-amino-5-[[(4-bromophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]butanoic acid IUPAC Name: 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoic acid Traditional Name: 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]butyric acid Formula: C15H15BrN4O4S MolecularWeight: 427.273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN4O4S/c1-2-9(14(23)24)25-15-19-11(17)10(13(22)20-15)18-12(21)7-3-5-8(16)6-4-7/h3-6,9H,2H2,1H3,(H,18,21)(H,23,24)(H3,17,19,20,22)