3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(2-morpholino-1,3-benzothiazol-6-yl)phthalazine-1-carboxamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C21H19N5O3S/c1-25-20(28)15-5-3-2-4-14(15)18(24-25)19(27)22-13-6-7-16-17(12-13)30-21(23-16)26-8-10-29-11-9-26/h2-7,12H,8-11H2,1H3,(H,22,27)