2-[4-oxidanylidene-3-(phenylmethyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-benzyl-4-oxo-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-oxo-7-[oxo(1-pyrrolidinyl)methyl]-3-(phenylmethyl)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-benzyl-4-oxo-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-benzyl-4-keto-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c23-10-13-29-22-24-19-14-17(20(27)25-11-4-5-12-25)8-9-18(19)21(28)26(22)15-16-6-2-1-3-7-16/h1-3,6-9,14H,4-5,11-13,15H2