2-[[1-methyl-9-oxidanyl-1-(triphenylmethyl)purin-1-ium-2-ylidene]amino]ethanol

Systemtic Name: 2-[[1-methyl-9-oxidanyl-1-(triphenylmethyl)purin-1-ium-2-ylidene]amino]ethanol Openeye Name: 2-[(9-hydroxy-1-methyl-1-trityl-purin-1-ium-2-ylidene)amino]ethanol CAS Name: 2-[[9-hydroxy-1-methyl-1-(triphenylmethyl)-2-purin-1-iumylidene]amino]ethanol IUPAC Name: 2-[(9-hydroxy-1-methyl-1-tritylpurin-1-ium-2-ylidene)amino]ethanol Traditional Name: 2-[(9-hydroxy-1-methyl-1-trityl-purin-1-ium-2-ylidene)amino]ethanol Formula: C27H26N5O2+ MolecularWeight: 452.52764

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C2C(=NC1=NCCO)N(C=N2)O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[N+]1(C=C2C(=NC1=NCCO)N(C=N2)O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N5O2/c1-32(19-24-25(31(34)20-29-24)30-26(32)28-17-18-33)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19-20,33-34H,17-18H2,1H3/q+1