2-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[4-(methylamino)-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[4-(methylamino)quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C15H15N5S MolecularWeight: 297.3781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCC(CCC#N)C#N

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCC(CCC#N)C#N

InChI

InChI=1S/C15H15N5S/c1-18-14-12-6-2-3-7-13(12)19-15(20-14)21-10-11(9-17)5-4-8-16/h2-3,6-7,11H,4-5,10H2,1H3,(H,18,19,20)