8-(cyclohexylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-3-isobutyl-7-[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-3-isobutyl-7-p-anisyl-xanthine Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)NC4CCCCC4)N(C1=O)CC(C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)NC4CCCCC4)N(C1=O)CC(C)C

InChI

InChI=1S/C25H35N5O3/c1-5-28-23(31)21-22(30(25(28)32)15-17(2)3)27-24(26-19-9-7-6-8-10-19)29(21)16-18-11-13-20(33-4)14-12-18/h11-14,17,19H,5-10,15-16H2,1-4H3,(H,26,27)