3-[(1,3,6-trimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid

Systemtic Name: 3-[(1,3,6-trimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Openeye Name: 3-[(1,3,6-trimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid CAS Name: 3-[(1,3,6-trimethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(1,3,6-trimethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Traditional Name: 3-[(7-keto-1,3,6-trimethyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O3/c1-8-11-12(20(3)18-8)13(21)19(2)15(17-11)16-10-6-4-5-9(7-10)14(22)23/h4-7H,1-3H3,(H,16,17)(H,22,23)