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

Systemtic Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCOCO4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCOCO4

InChI

InChI=1S/C20H20N2O4S/c1-24-15-6-4-5-14(11-15)22-19(23)17-7-2-3-8-18(17)21-20(22)27-12-16-9-10-25-13-26-16/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m1/s1