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

Systemtic Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-methylsulfonylethylsulfonyl)-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-methylsulfonylethylsulfonyl)phthalazin-1-one CAS Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-methylsulfonylethylsulfonyl)-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-methylsulfonylethylsulfonyl)-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-7-(2-mesylethylsulfonyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Formula: C18H23N5O5S2 MolecularWeight: 453.53572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5S2/c1-11(2)23-18(24)15-10-13(30(27,28)8-7-29(4,25)26)5-6-14(15)17(22-23)19-16-9-12(3)20-21-16/h5-6,9-11H,7-8H2,1-4H3,(H2,19,20,21,22)