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

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-[(2-oxidanylcyclopentyl)amino]purine-2,6-dione Openeye Name: 8-[(2-hydroxycyclopentyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2-hydroxycyclopentyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(2-hydroxycyclopentyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(2-hydroxycyclopentyl)amino]-1,3-dimethyl-7-p-anisyl-xanthine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-23-17-16(18(27)24(2)20(23)28)25(11-12-7-9-13(29-3)10-8-12)19(22-17)21-14-5-4-6-15(14)26/h7-10,14-15,26H,4-6,11H2,1-3H3,(H,21,22)