2-[(4S)-6-azanyl-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate

Systemtic Name: 2-[(4S)-6-azanyl-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate Openeye Name: 2-[(4S)-6-amino-5-cyano-3-(4-pyridyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate CAS Name: 2-[(4S)-6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate IUPAC Name: 2-[(4S)-6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate Traditional Name: 2-[(4S)-6-amino-5-cyano-3-(4-pyridyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate Formula: C19H12N5O3- MolecularWeight: 358.33028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C(=C(OC3=NNC(=C23)C4=CC=NC=C4)N)C#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[C@H]2C(=C(OC3=NNC(=C23)C4=CC=NC=C4)N)C#N)C(=O)[O-]

InChI

InChI=1S/C19H13N5O3/c20-9-13-14(11-3-1-2-4-12(11)19(25)26)15-16(10-5-7-22-8-6-10)23-24-18(15)27-17(13)21/h1-8,14H,21H2,(H,23,24)(H,25,26)/p-1/t14-/m0/s1