8-(cyclohexylamino)-1-ethyl-7-[(3-methyl-4-oxidanyl-phenyl)methyl]-3-propyl-purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-7-[(3-methyl-4-oxidanyl-phenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-hydroxy-3-methyl-phenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-hydroxy-3-methylphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-hydroxy-3-methylphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-7-(4-hydroxy-3-methyl-benzyl)-3-propyl-xanthine Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=C(C=C4)O)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=C(C=C4)O)C

InChI

InChI=1S/C24H33N5O3/c1-4-13-28-21-20(22(31)27(5-2)24(28)32)29(15-17-11-12-19(30)16(3)14-17)23(26-21)25-18-9-7-6-8-10-18/h11-12,14,18,30H,4-10,13,15H2,1-3H3,(H,25,26)