7-chloranyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-chloranyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-chloro-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-chloro-2-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-chloro-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-chloro-2-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C16H16ClN5OS MolecularWeight: 361.84914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCC3=CC(=O)N4C=C(C=CC4=N3)Cl

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCC3=CC(=O)N4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C16H16ClN5OS/c17-11-5-6-13-18-12(7-14(23)22(13)8-11)9-24-16-19-15(20-21-16)10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,19,20,21)