2-[(triphenylmethyl)amino]-9-[2-(triphenylmethyl)-1,2-oxazolidin-5-yl]-3H-purin-6-one

Systemtic Name: 2-[(triphenylmethyl)amino]-9-[2-(triphenylmethyl)-1,2-oxazolidin-5-yl]-3H-purin-6-one Openeye Name: 2-(tritylamino)-9-(2-tritylisoxazolidin-5-yl)-3H-purin-6-one CAS Name: 2-[(triphenylmethyl)amino]-9-[2-(triphenylmethyl)-5-isoxazolidinyl]-3H-purin-6-one IUPAC Name: 2-(tritylamino)-9-(2-trityl-1,2-oxazolidin-5-yl)-3H-purin-6-one Traditional Name: 2-(tritylamino)-9-(2-tritylisoxazolidin-5-yl)-3H-purin-6-one Formula: C46H38N6O2 MolecularWeight: 706.83292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(OC1N2C=NC3=C2NC(=NC3=O)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1CN(OC1N2C=NC3=C2NC(=NC3=O)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C46H38N6O2/c53-43-41-42(48-44(49-43)50-45(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36)51(33-47-41)40-31-32-52(54-40)46(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30,33,40H,31-32H2,(H2,48,49,50,53)