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

Systemtic Name: 7-chloranyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one Openeye Name: 7-chloro-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 7-chloro-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-(4-methylphenyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-(p-tolyl)quinazolin-4-one Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4CCOCO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC[C@H]4CCOCO4

InChI

InChI=1S/C20H19ClN2O3S/c1-13-2-5-15(6-3-13)23-19(24)17-7-4-14(21)10-18(17)22-20(23)27-11-16-8-9-25-12-26-16/h2-7,10,16H,8-9,11-12H2,1H3/t16-/m1/s1