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

Systemtic Name: 2,8-dimethyl-6-[4-(phenylmethyl)-1,4-diazepan-1-yl]-9-propyl-purine Openeye Name: 6-(4-benzyl-1,4-diazepan-1-yl)-2,8-dimethyl-9-propyl-purine CAS Name: 2,8-dimethyl-6-[4-(phenylmethyl)-1,4-diazepan-1-yl]-9-propylpurine IUPAC Name: 6-(4-benzyl-1,4-diazepan-1-yl)-2,8-dimethyl-9-propylpurine Traditional Name: 6-(4-benzyl-1,4-diazepan-1-yl)-2,8-dimethyl-9-propyl-purine Formula: C22H30N6 MolecularWeight: 378.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1N=C(N=C2N3CCCN(CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CCCN1C(=NC2=C1N=C(N=C2N3CCCN(CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H30N6/c1-4-11-28-18(3)25-20-21(23-17(2)24-22(20)28)27-13-8-12-26(14-15-27)16-19-9-6-5-7-10-19/h5-7,9-10H,4,8,11-16H2,1-3H3