7-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methylpropyl)-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methylpropyl)-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione Openeye Name: 8-[(2-hydroxycyclopentyl)amino]-3-isobutyl-7-[(4-methoxyphenyl)methyl]-1-methyl-purine-2,6-dione CAS Name: 8-[(2-hydroxycyclopentyl)amino]-7-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[(2-hydroxycyclopentyl)amino]-7-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[(2-hydroxycyclopentyl)amino]-3-isobutyl-1-methyl-7-p-anisyl-xanthine Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3O)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3O)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H31N5O4/c1-14(2)12-28-20-19(21(30)26(3)23(28)31)27(13-15-8-10-16(32-4)11-9-15)22(25-20)24-17-6-5-7-18(17)29/h8-11,14,17-18,29H,5-7,12-13H2,1-4H3,(H,24,25)