5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3-[(2-amino-3-tritylsulfanyl-propanoyl)amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-3-[(2-amino-3-tritylsulfanylpropanoyl)amino]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(tritylthio)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C32H31N7O5S MolecularWeight: 625.69744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)NC4C(C(OC4C(=O)O)N5C=NC6=C5N=CN=C6N)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)NC4C(C(OC4C(=O)O)N5C=NC6=C5N=CN=C6N)O)N

InChI

InChI=1S/C32H31N7O5S/c33-22(16-45-32(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21)29(41)38-23-25(40)30(44-26(23)31(42)43)39-18-37-24-27(34)35-17-36-28(24)39/h1-15,17-18,22-23,25-26,30,40H,16,33H2,(H,38,41)(H,42,43)(H2,34,35,36)