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

Systemtic Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(3-methoxyphenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(3-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(3-methoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(3-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1,3-diethyl-7-m-anisyl-xanthine Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c1-4-26-20-19(21(29)27(5-2)23(26)30)28(15-16-10-9-13-18(14-16)31-3)22(25-20)24-17-11-7-6-8-12-17/h9-10,13-14,17H,4-8,11-12,15H2,1-3H3,(H,24,25)