7-bromanyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-bromanyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-bromo-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-bromo-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C18H15BrN2O3S MolecularWeight: 419.2923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=CC(=O)N4C=C(C=CC4=N3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=CC(=O)N4C=C(C=CC4=N3)Br)OC1

InChI

InChI=1S/C18H15BrN2O3S/c19-12-2-5-17-20-13(8-18(22)21(17)10-12)11-25-14-3-4-15-16(9-14)24-7-1-6-23-15/h2-5,8-10H,1,6-7,11H2