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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methoxy-3-methyl-phenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methoxy-3-methyl-phenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methoxy-3-methylphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methoxy-3-methylphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-7-(4-methoxy-3-methyl-benzyl)-3-propyl-xanthine Formula: C25H35N5O3 MolecularWeight: 453.5771

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O3/c1-5-14-29-22-21(23(31)28(6-2)25(29)32)30(16-18-12-13-20(33-4)17(3)15-18)24(27-22)26-19-10-8-7-9-11-19/h12-13,15,19H,5-11,14,16H2,1-4H3,(H,26,27)