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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-chloranyl-quinazoline-6-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-chloro-quinazoline-6-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-chloro-6-quinazolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-chloroquinazoline-6-carbonitrile Traditional Name: 2-chloro-4-(piperonylamino)quinazoline-6-carbonitrile Formula: C17H11ClN4O2 MolecularWeight: 338.74784

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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)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)C#N)Cl

InChI

InChI=1S/C17H11ClN4O2/c18-17-21-13-3-1-10(7-19)5-12(13)16(22-17)20-8-11-2-4-14-15(6-11)24-9-23-14/h1-6H,8-9H2,(H,20,21,22)