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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-3-methyl-7-p-anisyl-xanthine Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)NC4CCCCC4)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)NC4CCCCC4)N(C1=O)C

InChI

InChI=1S/C22H29N5O3/c1-4-26-20(28)18-19(25(2)22(26)29)24-21(23-16-8-6-5-7-9-16)27(18)14-15-10-12-17(30-3)13-11-15/h10-13,16H,4-9,14H2,1-3H3,(H,23,24)