2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(3-bromo-4-methoxyphenyl)methylthio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(3-bromo-4-methoxy-benzyl)thio]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)CSCC3=CC(=C(C=C3)OC)Br)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCC3=CC(=C(C=C3)OC)Br)C=C1

InChI

InChI=1S/C18H17BrN2O2S/c1-12-3-6-17-20-14(8-18(22)21(17)9-12)11-24-10-13-4-5-16(23-2)15(19)7-13/h3-9H,10-11H2,1-2H3