8-(cyclohexylamino)-1,3-diethyl-7-[(4-methylsulfonylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(4-methylsulfonylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(4-methylsulfonylphenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(4-methylsulfonylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(4-methylsulfonylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1,3-diethyl-7-(4-mesylbenzyl)xanthine Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H31N5O4S/c1-4-26-20-19(21(29)27(5-2)23(26)30)28(22(25-20)24-17-9-7-6-8-10-17)15-16-11-13-18(14-12-16)33(3,31)32/h11-14,17H,4-10,15H2,1-3H3,(H,24,25)