6-methyl-7-[1-[(3S)-3-methylmorpholin-4-yl]phthalazin-6-yl]-1,2-benzothiazol-3-amine

Systemtic Name: 6-methyl-7-[1-[(3S)-3-methylmorpholin-4-yl]phthalazin-6-yl]-1,2-benzothiazol-3-amine Openeye Name: 6-methyl-7-[1-[(3S)-3-methylmorpholin-4-yl]phthalazin-6-yl]-1,2-benzothiazol-3-amine CAS Name: 6-methyl-7-[1-[(3S)-3-methyl-4-morpholinyl]-6-phthalazinyl]-1,2-benzothiazol-3-amine IUPAC Name: 6-methyl-7-[1-[(3S)-3-methylmorpholin-4-yl]phthalazin-6-yl]-1,2-benzothiazol-3-amine Traditional Name: [6-methyl-7-[1-[(3S)-3-methylmorpholino]phthalazin-6-yl]-1,2-benzothiazol-3-yl]amine Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1C2=C3C=CC(=CC3=CN=N2)C4=C(C=CC5=C4SN=C5N)C

Isomeric SMILES

C[C@H]1COCCN1C2=C3C=CC(=CC3=CN=N2)C4=C(C=CC5=C4SN=C5N)C

InChI

InChI=1S/C21H21N5OS/c1-12-3-5-17-19(28-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-24-21(16)26-7-8-27-11-13(26)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,22,25)/t13-/m0/s1