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

Systemtic Name: 8-(cyclohexylamino)-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-3-methyl-7-p-anisyl-xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H25N5O3/c1-24-17-16(18(26)23-20(24)27)25(12-13-8-10-15(28-2)11-9-13)19(22-17)21-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,21,22)(H,23,26,27)