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

Systemtic Name: methyl 5-[[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[(2-amino-6-chloro-4-pyrimidinyl)amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C14H15ClN4O3 MolecularWeight: 322.7469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC(=NC(=N2)N)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC(=NC(=N2)N)Cl)C(=O)OC

InChI

InChI=1S/C14H15ClN4O3/c1-21-10-4-3-8(5-9(10)13(20)22-2)7-17-12-6-11(15)18-14(16)19-12/h3-6H,7H2,1-2H3,(H3,16,17,18,19)