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

Systemtic Name: 8-(cyclohexylamino)-1,3-dimethyl-7-[(2-phenylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1,3-dimethyl-7-[(2-phenylphenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1,3-dimethyl-7-[(2-phenylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1,3-dimethyl-7-[(2-phenylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(2-phenylbenzyl)xanthine Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c1-29-23-22(24(32)30(2)26(29)33)31(25(28-23)27-20-14-7-4-8-15-20)17-19-13-9-10-16-21(19)18-11-5-3-6-12-18/h3,5-6,9-13,16,20H,4,7-8,14-15,17H2,1-2H3,(H,27,28)