2-[8-azanyl-2-(diphenylmethyl)oxycarbonyl-6-iodanyl-purin-9-yl]ethanoic acid

Systemtic Name: 2-[8-azanyl-2-(diphenylmethyl)oxycarbonyl-6-iodanyl-purin-9-yl]ethanoic acid Openeye Name: 2-(8-amino-2-benzhydryloxycarbonyl-6-iodo-purin-9-yl)acetic acid CAS Name: 2-[8-amino-2-[(diphenylmethyl)oxy-oxomethyl]-6-iodo-9-purinyl]acetic acid IUPAC Name: 2-(8-amino-2-benzhydryloxycarbonyl-6-iodopurin-9-yl)acetic acid Traditional Name: 2-(8-amino-2-benzhydryloxycarbonyl-6-iodo-purin-9-yl)acetic acid Formula: C21H16IN5O4 MolecularWeight: 529.28731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3=NC4=C(C(=N3)I)N=C(N4CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3=NC4=C(C(=N3)I)N=C(N4CC(=O)O)N

InChI

InChI=1S/C21H16IN5O4/c22-17-15-19(27(11-14(28)29)21(23)24-15)26-18(25-17)20(30)31-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H2,23,24)(H,28,29)