ethyl 3-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 3-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 3-[(5-amino-6-chloro-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(5-amino-6-chloro-4-pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(5-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=C(C(=NC=N2)Cl)N

Isomeric SMILES

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

InChI

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