3-(2-methylpropyl)-4-oxidanylidene-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-[4-(3-pyridyl)thiazol-2-yl]phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-[4-(3-pyridinyl)-2-thiazolyl]-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[4-(3-pyridyl)thiazol-2-yl]phthalazine-1-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CN=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CN=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-13(2)11-26-20(28)16-8-4-3-7-15(16)18(25-26)19(27)24-21-23-17(12-29-21)14-6-5-9-22-10-14/h3-10,12-13H,11H2,1-2H3,(H,23,24,27)