2-[2-(3-bromanylphenoxy)ethylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[2-(3-bromanylphenoxy)ethylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[2-(3-bromophenoxy)ethylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[2-(3-bromophenoxy)ethylthio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[2-(3-bromophenoxy)ethylsulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[2-(3-bromophenoxy)ethylthio]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C18H17BrN2O2S MolecularWeight: 405.30878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSCCOC3=CC(=CC=C3)Br)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCCOC3=CC(=CC=C3)Br)C=C1

InChI

InChI=1S/C18H17BrN2O2S/c1-13-5-6-17-20-15(10-18(22)21(17)11-13)12-24-8-7-23-16-4-2-3-14(19)9-16/h2-6,9-11H,7-8,12H2,1H3