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

Systemtic Name: 4-(3H-1,2-benzodioxol-6-ylmethylamino)quinazoline-6-carbonitrile Openeye Name: 4-(3H-1,2-benzodioxol-6-ylmethylamino)quinazoline-6-carbonitrile CAS Name: 4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-quinazolinecarbonitrile IUPAC Name: 4-(3H-1,2-benzodioxol-6-ylmethylamino)quinazoline-6-carbonitrile Traditional Name: 4-(3H-1,2-benzodioxol-6-ylmethylamino)quinazoline-6-carbonitrile Formula: C17H12N4O2 MolecularWeight: 304.30278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)CNC3=NC=NC4=C3C=C(C=C4)C#N)OO1

Isomeric SMILES

C1C2=C(C=C(C=C2)CNC3=NC=NC4=C3C=C(C=C4)C#N)OO1

InChI

InChI=1S/C17H12N4O2/c18-7-11-2-4-15-14(5-11)17(21-10-20-15)19-8-12-1-3-13-9-22-23-16(13)6-12/h1-6,10H,8-9H2,(H,19,20,21)