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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-morpholin-4-yl-quinazoline-6-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-morpholino-quinazoline-6-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(4-morpholinyl)-6-quinazolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-morpholin-4-ylquinazoline-6-carbonitrile Traditional Name: 2-morpholino-4-(piperonylamino)quinazoline-6-carbonitrile Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(C=C(C=C3)C#N)C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=NC3=C(C=C(C=C3)C#N)C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N5O3/c22-11-14-1-3-17-16(9-14)20(25-21(24-17)26-5-7-27-8-6-26)23-12-15-2-4-18-19(10-15)29-13-28-18/h1-4,9-10H,5-8,12-13H2,(H,23,24,25)