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

Systemtic Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethylsulfanyl)-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholinoethylsulfanyl)phthalazin-1-one CAS Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-[2-(4-morpholinyl)ethylthio]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethylsulfanyl)-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholinoethylthio)phthalazin-1-one Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)SCCN4CCOCC4)C(C)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)SCCN4CCOCC4)C(C)C

InChI

InChI=1S/C21H28N6O2S/c1-14(2)27-21(28)18-13-16(30-11-8-26-6-9-29-10-7-26)4-5-17(18)20(25-27)22-19-12-15(3)23-24-19/h4-5,12-14H,6-11H2,1-3H3,(H2,22,23,24,25)