8-(cyclohexylamino)-1,7-bis[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-1,7-bis[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1,7-bis[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1,7-bis[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1,7-bis[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-3-methyl-1,7-bis(p-anisyl)xanthine Formula: C28H33N5O4 MolecularWeight: 503.59272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)OC)N(C(=N2)NC4CCCCC4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)OC)N(C(=N2)NC4CCCCC4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H33N5O4/c1-31-25-24(26(34)33(28(31)35)18-20-11-15-23(37-3)16-12-20)32(17-19-9-13-22(36-2)14-10-19)27(30-25)29-21-7-5-4-6-8-21/h9-16,21H,4-8,17-18H2,1-3H3,(H,29,30)