2-(1-adamantylsulfanylmethyl)-7-bromanyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-(1-adamantylsulfanylmethyl)-7-bromanyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-(1-adamantylsulfanylmethyl)-7-bromo-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[(1-adamantylthio)methyl]-7-bromo-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-(1-adamantylsulfanylmethyl)-7-bromopyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(1-adamantylthio)methyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one Formula: C19H21BrN2OS MolecularWeight: 405.35184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC4=CC(=O)N5C=C(C=CC5=N4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC4=CC(=O)N5C=C(C=CC5=N4)Br

InChI

InChI=1S/C19H21BrN2OS/c20-15-1-2-17-21-16(6-18(23)22(17)10-15)11-24-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,10,12-14H,3-5,7-9,11H2