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

Systemtic Name: 3-[(1,3-dimethyl-5-propan-2-yl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]-4-methyl-benzoate Openeye Name: 3-[(5-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]-4-methyl-benzoate CAS Name: 3-[(1,3-dimethyl-5-propan-2-yl-7-pyrazolo[4,3-d]pyrimidinyl)amino]-4-methylbenzoate IUPAC Name: 3-[(1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)amino]-4-methylbenzoate Traditional Name: 3-[(5-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]-4-methyl-benzoate Formula: C18H20N5O2- MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC2=NC(=NC3=C2N(N=C3C)C)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC2=NC(=NC3=C2N(N=C3C)C)C(C)C

InChI

InChI=1S/C18H21N5O2/c1-9(2)16-20-14-11(4)22-23(5)15(14)17(21-16)19-13-8-12(18(24)25)7-6-10(13)3/h6-9H,1-5H3,(H,24,25)(H,19,20,21)/p-1