3-[7-oxidanylidene-2-(2-propoxyphenyl)-8H-purin-7-ium-9-yl]-8-phenyl-octan-2-ol

Systemtic Name: 3-[7-oxidanylidene-2-(2-propoxyphenyl)-8H-purin-7-ium-9-yl]-8-phenyl-octan-2-ol Openeye Name: 3-[7-oxo-2-(2-propoxyphenyl)-8H-purin-7-ium-9-yl]-8-phenyl-octan-2-ol CAS Name: 3-[7-oxo-2-(2-propoxyphenyl)-8H-purin-7-ium-9-yl]-8-phenyl-2-octanol IUPAC Name: 3-[7-oxo-2-(2-propoxyphenyl)-8H-purin-7-ium-9-yl]-8-phenyloctan-2-ol Traditional Name: 3-[7-keto-2-(2-propoxyphenyl)-8H-purin-7-ium-9-yl]-8-phenyl-octan-2-ol Formula: C28H35N4O3+ MolecularWeight: 475.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC=C3C(=N2)N(C[N+]3=O)C(CCCCCC4=CC=CC=C4)C(C)O

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC=C3C(=N2)N(C[N+]3=O)C(CCCCCC4=CC=CC=C4)C(C)O

InChI

InChI=1S/C28H35N4O3/c1-3-18-35-26-17-11-10-15-23(26)27-29-19-25-28(30-27)31(20-32(25)34)24(21(2)33)16-9-5-8-14-22-12-6-4-7-13-22/h4,6-7,10-13,15,17,19,21,24,33H,3,5,8-9,14,16,18,20H2,1-2H3/q+1