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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCCC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCCC3)CC4=CC=C(C=C4)OC

InChI

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