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

Systemtic Name: 2-methylpropyl 4-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[(5-amino-6-chloro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(5-amino-6-chloro-4-pyrimidinyl)amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(5-amino-6-chloropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(5-amino-6-chloro-pyrimidin-4-yl)amino]benzoic acid isobutyl ester Formula: C15H17ClN4O2 MolecularWeight: 320.77408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4O2/c1-9(2)7-22-15(21)10-3-5-11(6-4-10)20-14-12(17)13(16)18-8-19-14/h3-6,8-9H,7,17H2,1-2H3,(H,18,19,20)