7-[(4-tert-butylphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-tert-butylphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-tert-butylphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-tert-butylbenzyl)-8-(cyclohexylamino)-1,3-dimethyl-xanthine Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2NC4CCCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2NC4CCCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C24H33N5O2/c1-24(2,3)17-13-11-16(12-14-17)15-29-19-20(27(4)23(31)28(5)21(19)30)26-22(29)25-18-9-7-6-8-10-18/h11-14,18H,6-10,15H2,1-5H3,(H,25,26)