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

Systemtic Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[4-(cyclopropylamino)-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[4-(cyclopropylamino)quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C17H17N5S MolecularWeight: 323.41538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC(CCC#N)C#N

Isomeric SMILES

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC(CCC#N)C#N

InChI

InChI=1S/C17H17N5S/c18-9-3-4-12(10-19)11-23-17-21-15-6-2-1-5-14(15)16(22-17)20-13-7-8-13/h1-2,5-6,12-13H,3-4,7-8,11H2,(H,20,21,22)