3-(2,3-dimethylcyclohexyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2,3-dimethylcyclohexyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,3-dimethylcyclohexyl)-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]quinazolin-4-one CAS Name: 3-(2,3-dimethylcyclohexyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylthio]-4-quinazolinone IUPAC Name: 3-(2,3-dimethylcyclohexyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,3-dimethylcyclohexyl)-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]quinazolin-4-one Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCCCC4=NC(=NO4)C5=CC=NC=C5

Isomeric SMILES

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCCCC4=NC(=NO4)C5=CC=NC=C5

InChI

InChI=1S/C26H29N5O2S/c1-17-7-5-10-22(18(17)2)31-25(32)20-8-3-4-9-21(20)28-26(31)34-16-6-11-23-29-24(30-33-23)19-12-14-27-15-13-19/h3-4,8-9,12-15,17-18,22H,5-7,10-11,16H2,1-2H3