9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-2-[3-(1-oxidanylpyridin-1-ium-4-yl)propoxy]purine

Systemtic Name: 9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-2-[3-(1-oxidanylpyridin-1-ium-4-yl)propoxy]purine Openeye Name: 9-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-2-[3-(1-hydroxypyridin-1-ium-4-yl)propoxy]-6,8-dimethyl-purine CAS Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-[3-(1-hydroxy-4-pyridin-1-iumyl)propoxy]-6,8-dimethylpurine IUPAC Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-[3-(1-hydroxypyridin-1-ium-4-yl)propoxy]-6,8-dimethylpurine Traditional Name: 9-[3-(cyclopentoxy)-4-methoxy-benzyl]-2-[3-(1-hydroxypyridin-1-ium-4-yl)propoxy]-6,8-dimethyl-purine Formula: C28H34N5O4+ MolecularWeight: 504.60066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)OCCCC3=CC=[N+](C=C3)O)N(C(=N2)C)CC4=CC(=C(C=C4)OC)OC5CCCC5

Isomeric SMILES

CC1=C2C(=NC(=N1)OCCCC3=CC=[N+](C=C3)O)N(C(=N2)C)CC4=CC(=C(C=C4)OC)OC5CCCC5

InChI

InChI=1S/C28H34N5O4/c1-19-26-27(31-28(29-19)36-16-6-7-21-12-14-32(34)15-13-21)33(20(2)30-26)18-22-10-11-24(35-3)25(17-22)37-23-8-4-5-9-23/h10-15,17,23,34H,4-9,16,18H2,1-3H3/q+1