ethyl 3-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 3-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 3-[(2-amino-6-chloro-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(2-amino-6-chloro-4-pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(2-amino-6-chloro-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C13H13ClN4O2 MolecularWeight: 292.72092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=CC(=NC(=N2)N)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=CC(=NC(=N2)N)Cl

InChI

InChI=1S/C13H13ClN4O2/c1-2-20-12(19)8-4-3-5-9(6-8)16-11-7-10(14)17-13(15)18-11/h3-7H,2H2,1H3,(H3,15,16,17,18)