3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1-piperidyl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1-piperidinyl)ethylthio]-4-quinazolinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-homoveratryl-2-(2-piperidinoethylthio)quinazolin-4-one Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCCN4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCCN4CCCCC4)OC

InChI

InChI=1S/C25H31N3O3S/c1-30-22-11-10-19(18-23(22)31-2)12-15-28-24(29)20-8-4-5-9-21(20)26-25(28)32-17-16-27-13-6-3-7-14-27/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3