1-[5-(dimethylamino)hexyl]-3-methyl-8-(methylaminomethyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[5-(dimethylamino)hexyl]-3-methyl-8-(methylaminomethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-[5-(dimethylamino)hexyl]-3-methyl-8-(methylaminomethyl)purine-2,6-dione CAS Name: 1-[5-(dimethylamino)hexyl]-3-methyl-8-(methylaminomethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-[5-(dimethylamino)hexyl]-3-methyl-8-(methylaminomethyl)purine-2,6-dione Traditional Name: 7-benzyl-1-[5-(dimethylamino)hexyl]-3-methyl-8-(methylaminomethyl)xanthine Formula: C23H34N6O2 MolecularWeight: 426.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CNC)N(C1=O)C)N(C)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CNC)N(C1=O)C)N(C)C

InChI

InChI=1S/C23H34N6O2/c1-17(26(3)4)11-9-10-14-28-22(30)20-21(27(5)23(28)31)25-19(15-24-2)29(20)16-18-12-7-6-8-13-18/h6-8,12-13,17,24H,9-11,14-16H2,1-5H3