2-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]pentanedinitrile Openeye Name: 2-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]pentanedinitrile CAS Name: 2-[[(2-cyclopropyl-4-quinazolinyl)thio]methyl]pentanedinitrile IUPAC Name: 2-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[(2-cyclopropylquinazolin-4-yl)thio]methyl]glutaronitrile Formula: C17H16N4S MolecularWeight: 308.40074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC(CCC#N)C#N

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC(CCC#N)C#N

InChI

InChI=1S/C17H16N4S/c18-9-3-4-12(10-19)11-22-17-14-5-1-2-6-15(14)20-16(21-17)13-7-8-13/h1-2,5-6,12-13H,3-4,7-8,11H2