8-(6-azanylhexylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(6-azanylhexylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(6-aminohexylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(6-aminohexylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(6-aminohexylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(6-aminohexylamino)-1-(2-chlorobenzyl)-3,7-dimethyl-xanthine Formula: C20H27ClN6O2 MolecularWeight: 418.92038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCCCCN)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCCCCCN)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H27ClN6O2/c1-25-16-17(24-19(25)23-12-8-4-3-7-11-22)26(2)20(29)27(18(16)28)13-14-9-5-6-10-15(14)21/h5-6,9-10H,3-4,7-8,11-13,22H2,1-2H3,(H,23,24)