4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(methylsulfonylmethyl)-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(methylsulfonylmethyl)-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(methylsulfonylmethyl)phthalazin-1-one CAS Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(methylsulfonylmethyl)-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(methylsulfonylmethyl)-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-7-(mesylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)CS(=O)(=O)C)C(C)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)CS(=O)(=O)C)C(C)C

InChI

InChI=1S/C17H21N5O3S/c1-10(2)22-17(23)14-8-12(9-26(4,24)25)5-6-13(14)16(21-22)18-15-7-11(3)19-20-15/h5-8,10H,9H2,1-4H3,(H2,18,19,20,21)