7-[(3-chloranyl-4-methoxy-phenyl)methyl]-8-(cyclohexylamino)-1,3-diethyl-purine-2,6-dione

Systemtic Name: 7-[(3-chloranyl-4-methoxy-phenyl)methyl]-8-(cyclohexylamino)-1,3-diethyl-purine-2,6-dione Openeye Name: 7-[(3-chloro-4-methoxy-phenyl)methyl]-8-(cyclohexylamino)-1,3-diethyl-purine-2,6-dione CAS Name: 7-[(3-chloro-4-methoxyphenyl)methyl]-8-(cyclohexylamino)-1,3-diethylpurine-2,6-dione IUPAC Name: 7-[(3-chloro-4-methoxyphenyl)methyl]-8-(cyclohexylamino)-1,3-diethylpurine-2,6-dione Traditional Name: 7-(3-chloro-4-methoxy-benzyl)-8-(cyclohexylamino)-1,3-diethyl-xanthine Formula: C23H30ClN5O3 MolecularWeight: 459.969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN5O3/c1-4-27-20-19(21(30)28(5-2)23(27)31)29(14-15-11-12-18(32-3)17(24)13-15)22(26-20)25-16-9-7-6-8-10-16/h11-13,16H,4-10,14H2,1-3H3,(H,25,26)