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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-yl-quinazoline-6-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-yl-quinazoline-6-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(1-imidazolyl)-6-quinazolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-ylquinazoline-6-carbonitrile Traditional Name: 2-imidazol-1-yl-4-(piperonylamino)quinazoline-6-carbonitrile Formula: C20H14N6O2 MolecularWeight: 370.36416

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)C#N)N5C=CN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)C#N)N5C=CN=C5

InChI

InChI=1S/C20H14N6O2/c21-9-13-1-3-16-15(7-13)19(25-20(24-16)26-6-5-22-11-26)23-10-14-2-4-17-18(8-14)28-12-27-17/h1-8,11H,10,12H2,(H,23,24,25)