N'-(3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonyl-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-(3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonyl-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: 3-isobutyl-N'-[3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[(3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide Traditional Name: 3-isobutyl-4-keto-N'-[3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]phthalazine-1-carbohydrazide Formula: C31H27N7O3S MolecularWeight: 577.65618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NNC(=O)C4=NN(C(=O)C5=CC=CC=C54)CC(C)C)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NNC(=O)C4=NN(C(=O)C5=CC=CC=C54)CC(C)C)C6=CC=CC=C6

InChI

InChI=1S/C31H27N7O3S/c1-18(2)17-37-31(41)22-13-8-7-12-21(22)27(36-37)30(40)34-33-29(39)23-16-24(25-14-9-15-42-25)32-28-26(23)19(3)35-38(28)20-10-5-4-6-11-20/h4-16,18H,17H2,1-3H3,(H,33,39)(H,34,40)