4-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)benzoic acid

Systemtic Name: 4-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)benzoic acid Openeye Name: 4-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)benzoic acid CAS Name: 4-[5-(2-pyrimidinyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid IUPAC Name: 4-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)benzoic acid Traditional Name: 4-[5-(2-pyrimidyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Formula: C16H13N5O2 MolecularWeight: 307.30672

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C3=NC=CC=N3)NN=C2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C2=C(CN1C3=NC=CC=N3)NN=C2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C16H13N5O2/c22-15(23)11-4-2-10(3-5-11)14-12-8-21(9-13(12)19-20-14)16-17-6-1-7-18-16/h1-7H,8-9H2,(H,19,20)(H,22,23)