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

Systemtic Name: 8-(cyclohexylamino)-7-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-3-isobutyl-7-[(4-methoxyphenyl)methyl]-1-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-3-isobutyl-1-methyl-7-p-anisyl-xanthine Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H33N5O3/c1-16(2)14-29-21-20(22(30)27(3)24(29)31)28(15-17-10-12-19(32-4)13-11-17)23(26-21)25-18-8-6-5-7-9-18/h10-13,16,18H,5-9,14-15H2,1-4H3,(H,25,26)