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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCCCN)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCCCN)CC3=CC=CC=C3Cl

InChI

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