4-(1,3-benzodioxol-5-ylmethylamino)-6,7-dimethoxy-1H-quinazoline-2-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6,7-dimethoxy-1H-quinazoline-2-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6,7-dimethoxy-1H-quinazoline-2-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6,7-dimethoxy-1H-quinazoline-2-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6,7-dimethoxy-1H-quinazoline-2-thione Traditional Name: 6,7-dimethoxy-4-(piperonylamino)-1H-quinazoline-2-thione Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C18H17N3O4S/c1-22-14-6-11-12(7-15(14)23-2)20-18(26)21-17(11)19-8-10-3-4-13-16(5-10)25-9-24-13/h3-7H,8-9H2,1-2H3,(H2,19,20,21,26)