7-[(2-chlorophenyl)methyl]-8-(cyclohexylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(cyclohexylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(cyclohexylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(cyclohexylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(cyclohexylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(cyclohexylamino)-3-methyl-xanthine Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C19H22ClN5O2/c1-24-16-15(17(26)23-19(24)27)25(11-12-7-5-6-10-14(12)20)18(22-16)21-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,21,22)(H,23,26,27)