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

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-(2-morpholino-1,3-benzothiazol-6-yl)-3H-phthalazine-1-carboxamide Formula: C20H17N5O3S MolecularWeight: 407.44568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C20H17N5O3S/c26-18-14-4-2-1-3-13(14)17(23-24-18)19(27)21-12-5-6-15-16(11-12)29-20(22-15)25-7-9-28-10-8-25/h1-6,11H,7-10H2,(H,21,27)(H,24,26)