2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-benzyl-4-oxo-6-(1-piperidyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]acetonitrile Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC#N

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC#N

InChI

InChI=1S/C22H22N4OS/c23-11-14-28-22-24-20-10-9-18(25-12-5-2-6-13-25)15-19(20)21(27)26(22)16-17-7-3-1-4-8-17/h1,3-4,7-10,15H,2,5-6,12-14,16H2