3-[(5-bromanylthiophen-2-yl)carbonylamino]-2-(pyrimidin-2-ylamino)propanoic acid

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)carbonylamino]-2-(pyrimidin-2-ylamino)propanoic acid Openeye Name: 3-[(5-bromothiophene-2-carbonyl)amino]-2-(pyrimidin-2-ylamino)propanoic acid CAS Name: 3-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-2-(2-pyrimidinylamino)propanoic acid IUPAC Name: 3-[(5-bromothiophene-2-carbonyl)amino]-2-(pyrimidin-2-ylamino)propanoic acid Traditional Name: 3-[(5-bromothiophene-2-carbonyl)amino]-2-(2-pyrimidylamino)propionic acid Formula: C12H11BrN4O3S MolecularWeight: 371.20974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(CNC(=O)C2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NC(CNC(=O)C2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C12H11BrN4O3S/c13-9-3-2-8(21-9)10(18)16-6-7(11(19)20)17-12-14-4-1-5-15-12/h1-5,7H,6H2,(H,16,18)(H,19,20)(H,14,15,17)