(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-methyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H22N4O3S/c1-15(2)29-24-18(13-26-29)17(12-16(3)27-24)25(31)32-14-23(30)28-19-8-4-6-10-21(19)33-22-11-7-5-9-20(22)28/h4-13,15H,14H2,1-3H3