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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methylsulfonylphenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methylsulfonylphenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methylsulfonylphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methylsulfonylphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-7-(4-mesylbenzyl)-3-propyl-xanthine Formula: C24H33N5O4S MolecularWeight: 487.61492

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H33N5O4S/c1-4-15-28-21-20(22(30)27(5-2)24(28)31)29(23(26-21)25-18-9-7-6-8-10-18)16-17-11-13-19(14-12-17)34(3,32)33/h11-14,18H,4-10,15-16H2,1-3H3,(H,25,26)