5-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-yl]methyl]-2,1,3-benzothiadiazole

Systemtic Name: 5-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-yl]methyl]-2,1,3-benzothiadiazole Openeye Name: 5-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-yl]methyl]-2,1,3-benzothiadiazole CAS Name: 5-[[4-(6-ethoxy-4-methyl-2-quinazolinyl)-1,4-diazepan-1-yl]methyl]-2,1,3-benzothiadiazole IUPAC Name: 5-[[4-(6-ethoxy-4-methylquinazolin-2-yl)-1,4-diazepan-1-yl]methyl]-2,1,3-benzothiadiazole Traditional Name: 5-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-yl]methyl]piazthiole Formula: C23H26N6OS MolecularWeight: 434.55714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCN(CC3)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCN(CC3)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C23H26N6OS/c1-3-30-18-6-8-20-19(14-18)16(2)24-23(25-20)29-10-4-9-28(11-12-29)15-17-5-7-21-22(13-17)27-31-26-21/h5-8,13-14H,3-4,9-12,15H2,1-2H3