8-(cyclohexylamino)-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(cyclohexylamino)-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(cyclohexylamino)-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(cyclohexylamino)-3-isobutyl-1-methyl-xanthine Formula: C23H31N5O2 MolecularWeight: 409.52454

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2/c1-16(2)14-28-20-19(21(29)26(3)23(28)30)27(15-17-10-6-4-7-11-17)22(25-20)24-18-12-8-5-9-13-18/h4,6-7,10-11,16,18H,5,8-9,12-15H2,1-3H3,(H,24,25)