N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine; methanesulfonic acid

Systemtic Name: N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine; methanesulfonic acid Openeye Name: N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine; methanesulfonic acid CAS Name: N-(3-chlorophenyl)-6,7-dimethoxy-4-quinazolinamine; methanesulfonic acid IUPAC Name: N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine; methanesulfonic acid Traditional Name: (3-chlorophenyl)-(6,7-dimethoxyquinazolin-4-yl)amine; mesylic acid Formula: C17H18ClN3O5S MolecularWeight: 411.85992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC.CS(=O)(=O)O

InChI

InChI=1S/C16H14ClN3O2.CH4O3S/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;1-5(2,3)4/h3-9H,1-2H3,(H,18,19,20);1H3,(H,2,3,4)