(2S)-2-[[2-[(4-bromophenyl)amino]-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]-2-phenylazanyl-ethanoic acid

Systemtic Name: (2S)-2-[[2-[(4-bromophenyl)amino]-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]-2-phenylazanyl-ethanoic acid Openeye Name: (2S)-2-anilino-2-[[2-(4-bromoanilino)-6-oxo-1H-pyrimidin-5-yl]carbamoylamino]acetic acid CAS Name: (2S)-2-anilino-2-[[[[2-(4-bromoanilino)-6-oxo-1H-pyrimidin-5-yl]amino]-oxomethyl]amino]acetic acid IUPAC Name: (2S)-2-anilino-2-[[2-(4-bromoanilino)-6-oxo-1H-pyrimidin-5-yl]carbamoylamino]acetic acid Traditional Name: (2S)-2-anilino-2-[[2-(4-bromoanilino)-6-keto-1H-pyrimidin-5-yl]carbamoylamino]acetic acid Formula: C19H17BrN6O4 MolecularWeight: 473.28008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(C(=O)O)NC(=O)NC2=CN=C(NC2=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N[C@H](C(=O)O)NC(=O)NC2=CN=C(NC2=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN6O4/c20-11-6-8-13(9-7-11)23-18-21-10-14(16(27)26-18)24-19(30)25-15(17(28)29)22-12-4-2-1-3-5-12/h1-10,15,22H,(H,28,29)(H2,24,25,30)(H2,21,23,26,27)/t15-/m0/s1