8-(4-fluorophenyl)-2-methyl-6-[4-(phenylmethyl)-1,4-diazepan-1-yl]-9-propyl-purine

Systemtic Name: 8-(4-fluorophenyl)-2-methyl-6-[4-(phenylmethyl)-1,4-diazepan-1-yl]-9-propyl-purine Openeye Name: 6-(4-benzyl-1,4-diazepan-1-yl)-8-(4-fluorophenyl)-2-methyl-9-propyl-purine CAS Name: 8-(4-fluorophenyl)-2-methyl-6-[4-(phenylmethyl)-1,4-diazepan-1-yl]-9-propylpurine IUPAC Name: 6-(4-benzyl-1,4-diazepan-1-yl)-8-(4-fluorophenyl)-2-methyl-9-propylpurine Traditional Name: 6-(4-benzyl-1,4-diazepan-1-yl)-8-(4-fluorophenyl)-2-methyl-9-propyl-purine Formula: C27H31FN6 MolecularWeight: 458.573643

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C)N3CCCN(CC3)CC4=CC=CC=C4)N=C1C5=CC=C(C=C5)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C)N3CCCN(CC3)CC4=CC=CC=C4)N=C1C5=CC=C(C=C5)F

InChI

InChI=1S/C27H31FN6/c1-3-14-34-25(22-10-12-23(28)13-11-22)31-24-26(29-20(2)30-27(24)34)33-16-7-15-32(17-18-33)19-21-8-5-4-6-9-21/h4-6,8-13H,3,7,14-19H2,1-2H3