3-butyl-5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 3-butyl-5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-butyl-5-[(2-chloro-6-fluoro-phenyl)methyl]-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-butyl-5-[(2-chloro-6-fluorophenyl)methyl]-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-butyl-5-[(2-chloro-6-fluorophenyl)methyl]-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-butyl-5-(2-chloro-6-fluoro-benzyl)-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one Formula: C16H16ClFN4O MolecularWeight: 334.775843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=NN1)C(=O)N=C(N2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCC1=C2C(=NN1)C(=O)N=C(N2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H16ClFN4O/c1-2-3-7-12-14-15(22-21-12)16(23)20-13(19-14)8-9-10(17)5-4-6-11(9)18/h4-6H,2-3,7-8H2,1H3,(H,21,22)(H,19,20,23)