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

Systemtic Name: 8-[(4-tert-butylcyclohexyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(4-tert-butylcyclohexyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(4-tert-butylcyclohexyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-tert-butylcyclohexyl)amino]-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-tert-butylcyclohexyl)amino]-1,3-dimethyl-7-p-anisyl-xanthine Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C25H35N5O3/c1-25(2,3)17-9-11-18(12-10-17)26-23-27-21-20(22(31)29(5)24(32)28(21)4)30(23)15-16-7-13-19(33-6)14-8-16/h7-8,13-14,17-18H,9-12,15H2,1-6H3,(H,26,27)