N-(1,3-benzodioxol-4-ylmethyl)-6,7-dimethoxy-quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-6,7-dimethoxy-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-6,7-dimethoxy-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-6,7-dimethoxy-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-6,7-dimethoxyquinazolin-4-amine Traditional Name: 1,3-benzodioxol-4-ylmethyl-(6,7-dimethoxyquinazolin-4-yl)amine Formula: C18H17N3O4 MolecularWeight: 339.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=C4C(=CC=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NCC3=C4C(=CC=C3)OCO4)OC

InChI

InChI=1S/C18H17N3O4/c1-22-15-6-12-13(7-16(15)23-2)20-9-21-18(12)19-8-11-4-3-5-14-17(11)25-10-24-14/h3-7,9H,8,10H2,1-2H3,(H,19,20,21)