4-(1,3-benzodioxol-5-ylmethylamino)-2-methoxy-quinazoline-6-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-methoxy-quinazoline-6-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-methoxy-quinazoline-6-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-methoxy-6-quinazolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-methoxyquinazoline-6-carbonitrile Traditional Name: 2-methoxy-4-(piperonylamino)quinazoline-6-carbonitrile Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14N4O3/c1-23-18-21-14-4-2-11(8-19)6-13(14)17(22-18)20-9-12-3-5-15-16(7-12)25-10-24-15/h2-7H,9-10H2,1H3,(H,20,21,22)