3-[2-(cyclohexen-1-yl)ethyl]-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[[(4R)-1,3-dioxan-4-yl]methylthio]quinazolin-4-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4CCOCO4

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCOCO4

InChI

InChI=1S/C21H26N2O3S/c24-20-18-8-4-5-9-19(18)22-21(27-14-17-11-13-25-15-26-17)23(20)12-10-16-6-2-1-3-7-16/h4-6,8-9,17H,1-3,7,10-15H2/t17-/m1/s1