methyl 3-[(5-bromanylthiophen-2-yl)carbonylamino]-2-(pyrimidin-2-ylamino)propanoate

Systemtic Name: methyl 3-[(5-bromanylthiophen-2-yl)carbonylamino]-2-(pyrimidin-2-ylamino)propanoate Openeye Name: methyl 3-[(5-bromothiophene-2-carbonyl)amino]-2-(pyrimidin-2-ylamino)propanoate CAS Name: 3-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-2-(2-pyrimidinylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[(5-bromothiophene-2-carbonyl)amino]-2-(pyrimidin-2-ylamino)propanoate Traditional Name: 3-[(5-bromothiophene-2-carbonyl)amino]-2-(2-pyrimidylamino)propionic acid methyl ester Formula: C13H13BrN4O3S MolecularWeight: 385.23632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C1=CC=C(S1)Br)NC2=NC=CC=N2

Isomeric SMILES

COC(=O)C(CNC(=O)C1=CC=C(S1)Br)NC2=NC=CC=N2

InChI

InChI=1S/C13H13BrN4O3S/c1-21-12(20)8(18-13-15-5-2-6-16-13)7-17-11(19)9-3-4-10(14)22-9/h2-6,8H,7H2,1H3,(H,17,19)(H,15,16,18)