3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-methylsulfanyl-quinazolin-3-ium-4-amine

Systemtic Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-methylsulfanyl-quinazolin-3-ium-4-amine Openeye Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-methylsulfanyl-quinazolin-3-ium-4-amine CAS Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-(methylthio)-4-quinazolin-3-iumamine IUPAC Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-methylsulfanylquinazolin-3-ium-4-amine Traditional Name: [3-(2-chlorobenzyl)-6,7-dimethoxy-2-(methylthio)quinazolin-3-ium-4-yl]amine Formula: C18H19ClN3O2S+ MolecularWeight: 376.88036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SC)CC3=CC=CC=C3Cl)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SC)CC3=CC=CC=C3Cl)N)OC

InChI

InChI=1S/C18H18ClN3O2S/c1-23-15-8-12-14(9-16(15)24-2)21-18(25-3)22(17(12)20)10-11-6-4-5-7-13(11)19/h4-9,20H,10H2,1-3H3/p+1