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

Systemtic Name: 7-bromanyl-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-bromo-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-bromo-2-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C19H15BrN6OS MolecularWeight: 455.331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN6OS/c20-13-3-6-16-22-14(8-17(27)25(16)10-13)11-28-19-24-23-18(26(19)15-4-5-15)12-2-1-7-21-9-12/h1-3,6-10,15H,4-5,11H2