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

Systemtic Name: 3-[(1,3-dimethyl-7-oxidanylidene-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoate Openeye Name: 3-[(6-allyl-1,3-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoate CAS Name: 3-[(1,3-dimethyl-7-oxo-6-prop-2-enyl-5-pyrazolo[4,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 3-[(1,3-dimethyl-7-oxo-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoate Traditional Name: 3-[(6-allyl-7-keto-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoate Formula: C17H16N5O3- MolecularWeight: 338.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)CC=C)NC3=CC=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)CC=C)NC3=CC=CC(=C3)C(=O)[O-])C

InChI

InChI=1S/C17H17N5O3/c1-4-8-22-15(23)14-13(10(2)20-21(14)3)19-17(22)18-12-7-5-6-11(9-12)16(24)25/h4-7,9H,1,8H2,2-3H3,(H,18,19)(H,24,25)/p-1