2,2-dimethylpropyl 4-[(4-azanyl-6-chloranyl-5-methanoyl-pyrimidin-2-yl)amino]benzoate

Systemtic Name: 2,2-dimethylpropyl 4-[(4-azanyl-6-chloranyl-5-methanoyl-pyrimidin-2-yl)amino]benzoate Openeye Name: 2,2-dimethylpropyl 4-[(4-amino-6-chloro-5-formyl-pyrimidin-2-yl)amino]benzoate CAS Name: 4-[(4-amino-6-chloro-5-formyl-2-pyrimidinyl)amino]benzoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-[(4-amino-6-chloro-5-formylpyrimidin-2-yl)amino]benzoate Traditional Name: 4-[(4-amino-6-chloro-5-formyl-pyrimidin-2-yl)amino]benzoic acid neopentyl ester Formula: C17H19ClN4O3 MolecularWeight: 362.81076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O3/c1-17(2,3)9-25-15(24)10-4-6-11(7-5-10)20-16-21-13(18)12(8-23)14(19)22-16/h4-8H,9H2,1-3H3,(H3,19,20,21,22)