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

Systemtic Name: 2-[3-cyclohexyl-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-cyclohexyl-4-oxo-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-cyclohexyl-4-oxo-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-cyclohexyl-4-oxo-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-cyclohexyl-4-keto-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)N=C2SCC#N

InChI

InChI=1S/C27H29N5O2S/c28-13-18-35-27-29-24-19-20(11-12-23(24)26(34)32(27)22-9-5-2-6-10-22)25(33)31-16-14-30(15-17-31)21-7-3-1-4-8-21/h1,3-4,7-8,11-12,19,22H,2,5-6,9-10,14-18H2