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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-8-(hexylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-8-(hexylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-8-(hexylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-8-(hexylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-8-(hexylamino)-3,7-dimethyl-xanthine Formula: C20H26ClN5O2 MolecularWeight: 403.90574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H26ClN5O2/c1-4-5-6-9-12-22-19-23-17-16(24(19)2)18(27)26(20(28)25(17)3)13-14-10-7-8-11-15(14)21/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,22,23)