9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6-[(1-oxidanidylpyridin-1-ium-3-yl)methoxy]purine

Systemtic Name: 9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6-[(1-oxidanidylpyridin-1-ium-3-yl)methoxy]purine Openeye Name: 9-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-6-[(1-oxidopyridin-1-ium-3-yl)methoxy]purine CAS Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-[(1-oxido-3-pyridin-1-iumyl)methoxy]purine IUPAC Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-[(1-oxidopyridin-1-ium-3-yl)methoxy]purine Traditional Name: 9-[3-(cyclopentoxy)-4-methoxy-benzyl]-6-[(1-oxidopyridin-1-ium-3-yl)methoxy]purine Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC3=C2N=CN=C3OCC4=C[N+](=CC=C4)[O-])OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC3=C2N=CN=C3OCC4=C[N+](=CC=C4)[O-])OC5CCCC5

InChI

InChI=1S/C24H25N5O4/c1-31-20-9-8-17(11-21(20)33-19-6-2-3-7-19)12-28-16-27-22-23(28)25-15-26-24(22)32-14-18-5-4-10-29(30)13-18/h4-5,8-11,13,15-16,19H,2-3,6-7,12,14H2,1H3