methyl 2-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: methyl 2-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[(5-amino-6-chloro-pyrimidin-4-yl)amino]benzoate CAS Name: 2-[(5-amino-6-chloro-4-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-amino-6-chloropyrimidin-4-yl)amino]benzoate Traditional Name: 2-[(5-amino-6-chloro-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C12H11ClN4O2 MolecularWeight: 278.69434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)Cl)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)Cl)N

InChI

InChI=1S/C12H11ClN4O2/c1-19-12(18)7-4-2-3-5-8(7)17-11-9(14)10(13)15-6-16-11/h2-6H,14H2,1H3,(H,15,16,17)