8-(cyclohexylamino)-1,3-dimethyl-7-[(4-propan-2-yloxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-1,3-dimethyl-7-[(4-propan-2-yloxyphenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(4-isopropoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1,3-dimethyl-7-[(4-propan-2-yloxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1,3-dimethyl-7-[(4-propan-2-yloxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-(4-isopropoxybenzyl)-1,3-dimethyl-xanthine Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN2C3=C(N=C2NC4CCCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN2C3=C(N=C2NC4CCCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H31N5O3/c1-15(2)31-18-12-10-16(11-13-18)14-28-19-20(26(3)23(30)27(4)21(19)29)25-22(28)24-17-8-6-5-7-9-17/h10-13,15,17H,5-9,14H2,1-4H3,(H,24,25)