6-azanyl-9-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-methyl-purin-2-one

Systemtic Name: 6-azanyl-9-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-methyl-purin-2-one Openeye Name: 6-amino-9-[4-(4-fluorophenyl)-4-oxo-butyl]-1-methyl-purin-2-one CAS Name: 6-amino-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-methyl-2-purinone IUPAC Name: 6-amino-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-methylpurin-2-one Traditional Name: 6-amino-9-[4-(4-fluorophenyl)-4-keto-butyl]-1-methyl-purin-2-one Formula: C16H16FN5O2 MolecularWeight: 329.328943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC1=O)N(C=N2)CCCC(=O)C3=CC=C(C=C3)F)N

Isomeric SMILES

CN1C(=C2C(=NC1=O)N(C=N2)CCCC(=O)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C16H16FN5O2/c1-21-14(18)13-15(20-16(21)24)22(9-19-13)8-2-3-12(23)10-4-6-11(17)7-5-10/h4-7,9H,2-3,8,18H2,1H3