3-[(1,3-dimethyl-7-oxidanylidene-6-propan-2-yl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]-4-methyl-benzoate

Systemtic Name: 3-[(1,3-dimethyl-7-oxidanylidene-6-propan-2-yl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]-4-methyl-benzoate Openeye Name: 3-[(6-isopropyl-1,3-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)amino]-4-methyl-benzoate CAS Name: 3-[(1,3-dimethyl-7-oxo-6-propan-2-yl-5-pyrazolo[4,3-d]pyrimidinyl)amino]-4-methylbenzoate IUPAC Name: 3-[(1,3-dimethyl-7-oxo-6-propan-2-ylpyrazolo[4,3-d]pyrimidin-5-yl)amino]-4-methylbenzoate Traditional Name: 3-[(6-isopropyl-7-keto-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]-4-methyl-benzoate Formula: C18H20N5O3- MolecularWeight: 354.3831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC2=NC3=C(C(=O)N2C(C)C)N(N=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC2=NC3=C(C(=O)N2C(C)C)N(N=C3C)C

InChI

InChI=1S/C18H21N5O3/c1-9(2)23-16(24)15-14(11(4)21-22(15)5)20-18(23)19-13-8-12(17(25)26)7-6-10(13)3/h6-9H,1-5H3,(H,19,20)(H,25,26)/p-1