2-[[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(5-bromo-2-thiophenyl)methyl-ethylamino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[(5-bromothiophen-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C18H20BrN3O3S MolecularWeight: 438.3387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C18H20BrN3O3S/c1-4-22(9-11-5-6-16(19)26-11)10-17-20-13-8-15(25-3)14(24-2)7-12(13)18(23)21-17/h5-8H,4,9-10H2,1-3H3,(H,20,21,23)