2-[6-[(5-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]-5-chloranyl-cyclohexa-1,5-dien-1-yl]-1,3-diazinane

Systemtic Name: 2-[6-[(5-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]-5-chloranyl-cyclohexa-1,5-dien-1-yl]-1,3-diazinane Openeye Name: 2-[6-[(5-bromo-2-methoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]-5-chloro-cyclohexa-1,5-dien-1-yl]hexahydropyrimidine CAS Name: 2-[6-[(5-bromo-2-methoxy-1-cyclohexa-2,4-dienyl)methylthio]-5-chloro-1-cyclohexa-1,5-dienyl]-1,3-diazinane IUPAC Name: 2-[6-[(5-bromo-2-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]-5-chlorocyclohexa-1,5-dien-1-yl]-1,3-diazinane Traditional Name: 2-[6-[(5-bromo-2-methoxy-cyclohexa-2,4-dien-1-yl)methylthio]-5-chloro-cyclohexa-1,5-dien-1-yl]hexahydropyrimidine Formula: C18H24BrClN2OS MolecularWeight: 431.81796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(CC1CSC2=C(CCC=C2C3NCCCN3)Cl)Br

Isomeric SMILES

COC1=CC=C(CC1CSC2=C(CCC=C2C3NCCCN3)Cl)Br

InChI

InChI=1S/C18H24BrClN2OS/c1-23-16-7-6-13(19)10-12(16)11-24-17-14(4-2-5-15(17)20)18-21-8-3-9-22-18/h4,6-7,12,18,21-22H,2-3,5,8-11H2,1H3