7-bromanyl-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-bromanyl-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-bromo-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-bromo-2-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C18H14BrN5OS2 MolecularWeight: 460.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC(=O)N4C=C(C=CC4=N3)Br)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC(=O)N4C=C(C=CC4=N3)Br)C5=CC=CS5

InChI

InChI=1S/C18H14BrN5OS2/c19-11-3-6-15-20-12(8-16(25)23(15)9-11)10-27-18-22-21-17(14-2-1-7-26-14)24(18)13-4-5-13/h1-3,6-9,13H,4-5,10H2