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

Systemtic Name: 7-[(3-chlorophenyl)methyl]-8-(cyclohexylamino)-1,3-diethyl-purine-2,6-dione Openeye Name: 7-[(3-chlorophenyl)methyl]-8-(cyclohexylamino)-1,3-diethyl-purine-2,6-dione CAS Name: 7-[(3-chlorophenyl)methyl]-8-(cyclohexylamino)-1,3-diethylpurine-2,6-dione IUPAC Name: 7-[(3-chlorophenyl)methyl]-8-(cyclohexylamino)-1,3-diethylpurine-2,6-dione Traditional Name: 7-(3-chlorobenzyl)-8-(cyclohexylamino)-1,3-diethyl-xanthine Formula: C22H28ClN5O2 MolecularWeight: 429.94302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H28ClN5O2/c1-3-26-19-18(20(29)27(4-2)22(26)30)28(14-15-9-8-10-16(23)13-15)21(25-19)24-17-11-6-5-7-12-17/h8-10,13,17H,3-7,11-12,14H2,1-2H3,(H,24,25)