2-[(4-bromophenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(4-bromophenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(4-bromophenyl)methylthio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-bromophenyl)methylsulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(4-bromobenzyl)thio]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C17H15BrN2OS MolecularWeight: 375.2828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2OS/c1-12-2-7-16-19-15(8-17(21)20(16)9-12)11-22-10-13-3-5-14(18)6-4-13/h2-9H,10-11H2,1H3