2-[3-cyclohexyl-7-(4-methylpiperazin-1-yl)carbonyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-cyclohexyl-7-(4-methylpiperazin-1-yl)carbonyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-cyclohexyl-7-(4-methylpiperazine-1-carbonyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-cyclohexyl-7-[(4-methyl-1-piperazinyl)-oxomethyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-cyclohexyl-7-(4-methylpiperazine-1-carbonyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-cyclohexyl-4-keto-7-(4-methylpiperazine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4CCCCC4

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4CCCCC4

InChI

InChI=1S/C22H27N5O2S/c1-25-10-12-26(13-11-25)20(28)16-7-8-18-19(15-16)24-22(30-14-9-23)27(21(18)29)17-5-3-2-4-6-17/h7-8,15,17H,2-6,10-14H2,1H3