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

Systemtic Name: 8-(cyclohexylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H27N5O3/c1-25-18-17(19(27)24-21(25)28)26(13-12-14-8-10-16(29-2)11-9-14)20(23-18)22-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H,22,23)(H,24,27,28)