6-chloranyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[(4R)-1,3-dioxan-4-yl]methylthio]quinazolin-4-one Formula: C16H17ClN2O3S MolecularWeight: 352.83578

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3CCOCO3

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC[C@H]3CCOCO3

InChI

InChI=1S/C16H17ClN2O3S/c1-2-6-19-15(20)13-8-11(17)3-4-14(13)18-16(19)23-9-12-5-7-21-10-22-12/h2-4,8,12H,1,5-7,9-10H2/t12-/m1/s1