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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCC(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H29N5O3/c1-14-5-9-16(10-6-14)23-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)13-15-7-11-17(30-4)12-8-15/h7-8,11-12,14,16H,5-6,9-10,13H2,1-4H3,(H,23,24)