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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylthio]quinazolin-4-one Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c1-25-18-7-6-13(10-16(18)21)23-19(24)15-4-2-3-5-17(15)22-20(23)28-11-14-8-9-26-12-27-14/h2-7,10,14H,8-9,11-12H2,1H3/t14-/m1/s1