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

Systemtic Name: 7-[(3-bromanyl-4-methoxy-phenyl)methyl]-8-(cyclohexylamino)-3-(2-diethylaminoethyl)-1-ethyl-purine-2,6-dione Openeye Name: 7-[(3-bromo-4-methoxy-phenyl)methyl]-8-(cyclohexylamino)-3-(2-diethylaminoethyl)-1-ethyl-purine-2,6-dione CAS Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-8-(cyclohexylamino)-3-(2-diethylaminoethyl)-1-ethylpurine-2,6-dione IUPAC Name: 7-[(3-bromo-4-methoxyphenyl)methyl]-8-(cyclohexylamino)-3-(2-diethylaminoethyl)-1-ethylpurine-2,6-dione Traditional Name: 7-(3-bromo-4-methoxy-benzyl)-8-(cyclohexylamino)-3-(2-diethylaminoethyl)-1-ethyl-xanthine Formula: C27H39BrN6O3 MolecularWeight: 575.54096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39BrN6O3/c1-5-31(6-2)15-16-33-24-23(25(35)32(7-3)27(33)36)34(18-19-13-14-22(37-4)21(28)17-19)26(30-24)29-20-11-9-8-10-12-20/h13-14,17,20H,5-12,15-16,18H2,1-4H3,(H,29,30)