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

Systemtic Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(4-methoxy-3-methyl-phenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(4-methoxy-3-methyl-phenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(4-methoxy-3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(4-methoxy-3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1,3-diethyl-7-(4-methoxy-3-methyl-benzyl)xanthine Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=C(C=C4)OC)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=C(C=C4)OC)C

InChI

InChI=1S/C24H33N5O3/c1-5-27-21-20(22(30)28(6-2)24(27)31)29(15-17-12-13-19(32-4)16(3)14-17)23(26-21)25-18-10-8-7-9-11-18/h12-14,18H,5-11,15H2,1-4H3,(H,25,26)