(4R)-2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-pyridin-3-yl-1,4,6,8-tetrahydroquinazolin-5-one

Systemtic Name: (4R)-2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-pyridin-3-yl-1,4,6,8-tetrahydroquinazolin-5-one Openeye Name: (4R)-2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-(3-pyridyl)-1,4,6,8-tetrahydroquinazolin-5-one CAS Name: (4R)-2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-(3-pyridinyl)-1,4,6,8-tetrahydroquinazolin-5-one IUPAC Name: (4R)-2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-pyridin-3-yl-1,4,6,8-tetrahydroquinazolin-5-one Traditional Name: (4R)-2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-(3-pyridyl)-1,4,6,8-tetrahydroquinazolin-5-one Formula: C22H21N5OS MolecularWeight: 403.50004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(N=C(N2)NC3=NC4=CC=CC=C4S3)C5=CN=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](N=C(N2)NC3=NC4=CC=CC=C4S3)C5=CN=CC=C5)C(=O)C1)C

InChI

InChI=1S/C22H21N5OS/c1-22(2)10-15-18(16(28)11-22)19(13-6-5-9-23-12-13)26-20(24-15)27-21-25-14-7-3-4-8-17(14)29-21/h3-9,12,19H,10-11H2,1-2H3,(H2,24,25,26,27)/t19-/m1/s1