2-(4-azanyl-6,7-dimethoxy-3-phenethyl-quinazolin-3-ium-2-yl)sulfanylethanamide

Systemtic Name: 2-(4-azanyl-6,7-dimethoxy-3-phenethyl-quinazolin-3-ium-2-yl)sulfanylethanamide Openeye Name: 2-(4-amino-6,7-dimethoxy-3-phenethyl-quinazolin-3-ium-2-yl)sulfanylacetamide CAS Name: 2-[(4-amino-6,7-dimethoxy-3-phenethyl-2-quinazolin-3-iumyl)thio]acetamide IUPAC Name: 2-(4-amino-6,7-dimethoxy-3-phenethylquinazolin-3-ium-2-yl)sulfanylacetamide Traditional Name: 2-[(4-amino-6,7-dimethoxy-3-phenethyl-quinazolin-3-ium-2-yl)thio]acetamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC(=O)N)CCC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC(=O)N)CCC3=CC=CC=C3)N)OC

InChI

InChI=1S/C20H22N4O3S/c1-26-16-10-14-15(11-17(16)27-2)23-20(28-12-18(21)25)24(19(14)22)9-8-13-6-4-3-5-7-13/h3-7,10-11,22H,8-9,12H2,1-2H3,(H2,21,25)/p+1