2-[[1,3-benzothiazol-2-ylmethyl(ethyl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[1,3-benzothiazol-2-ylmethyl(ethyl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[1,3-benzothiazol-2-ylmethyl(ethyl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[1,3-benzothiazol-2-ylmethyl(ethyl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[1,3-benzothiazol-2-ylmethyl(ethyl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[1,3-benzothiazol-2-ylmethyl(ethyl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S/c1-4-25(12-20-23-14-7-5-6-8-18(14)29-20)11-19-22-15-10-17(28-3)16(27-2)9-13(15)21(26)24-19/h5-10H,4,11-12H2,1-3H3,(H,22,24,26)