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

Systemtic Name: 8-(cyclopentylamino)-1,7-bis[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-1,7-bis[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclopentylamino)-1,7-bis[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-1,7-bis[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(cyclopentylamino)-3-methyl-1,7-bis(p-anisyl)xanthine Formula: C27H31N5O4 MolecularWeight: 489.56614

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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)NC4CCCC4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)OC)N(C(=N2)NC4CCCC4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C27H31N5O4/c1-30-24-23(25(33)32(27(30)34)17-19-10-14-22(36-3)15-11-19)31(16-18-8-12-21(35-2)13-9-18)26(29-24)28-20-6-4-5-7-20/h8-15,20H,4-7,16-17H2,1-3H3,(H,28,29)