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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-7-[(3-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-7-[(3-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-7-[(3-methoxyphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-7-[(3-methoxyphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-7-m-anisyl-3-propyl-xanthine Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O3/c1-4-14-28-21-20(22(30)27(5-2)24(28)31)29(16-17-10-9-13-19(15-17)32-3)23(26-21)25-18-11-7-6-8-12-18/h9-10,13,15,18H,4-8,11-12,14,16H2,1-3H3,(H,25,26)