6-azanyl-2-butyl-9-[(4-fluorophenyl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butyl-9-[(4-fluorophenyl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-butyl-9-[(4-fluorophenyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-butyl-9-[(4-fluorophenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butyl-9-[(4-fluorophenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-butyl-9-(4-fluorobenzyl)-7H-purin-8-one Formula: C16H18FN5O MolecularWeight: 315.345423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H18FN5O/c1-2-3-4-12-19-14(18)13-15(20-12)22(16(23)21-13)9-10-5-7-11(17)8-6-10/h5-8H,2-4,9H2,1H3,(H,21,23)(H2,18,19,20)