6-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile Openeye Name: 6-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile CAS Name: 6-[2-[[2-(1,3-benzodioxol-5-yl)-4-quinazolinyl]amino]ethylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile Traditional Name: 6-[2-[[2-(1,3-benzodioxol-5-yl)quinazolin-4-yl]amino]ethylamino]nicotinonitrile Formula: C23H18N6O2 MolecularWeight: 410.42802

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=N3)NCCNC5=NC=C(C=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=N3)NCCNC5=NC=C(C=C5)C#N

InChI

InChI=1S/C23H18N6O2/c24-12-15-5-8-21(27-13-15)25-9-10-26-23-17-3-1-2-4-18(17)28-22(29-23)16-6-7-19-20(11-16)31-14-30-19/h1-8,11,13H,9-10,14H2,(H,25,27)(H,26,28,29)