4-[(1,3-dimethyl-5-propan-2-yl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate

Systemtic Name: 4-[(1,3-dimethyl-5-propan-2-yl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate Openeye Name: 4-[(5-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate CAS Name: 4-[(1,3-dimethyl-5-propan-2-yl-7-pyrazolo[4,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 4-[(1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate Traditional Name: 4-[(5-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate Formula: C17H18N5O2- MolecularWeight: 324.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N=C2NC3=CC=C(C=C3)C(=O)[O-])C(C)C)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N=C2NC3=CC=C(C=C3)C(=O)[O-])C(C)C)C

InChI

InChI=1S/C17H19N5O2/c1-9(2)15-19-13-10(3)21-22(4)14(13)16(20-15)18-12-7-5-11(6-8-12)17(23)24/h5-9H,1-4H3,(H,23,24)(H,18,19,20)/p-1