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

Systemtic Name: 2-[[6-azanyl-5-[(4-bromophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[6-amino-5-[[(4-bromophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]propionic acid Formula: C14H13BrN4O4S MolecularWeight: 413.24642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN4O4S/c1-6(13(22)23)24-14-18-10(16)9(12(21)19-14)17-11(20)7-2-4-8(15)5-3-7/h2-6H,1H3,(H,17,20)(H,22,23)(H3,16,18,19,21)