tert-butyl 3-[6-(3-aminophenyl)sulfanylpurin-9-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-[6-(3-aminophenyl)sulfanylpurin-9-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 3-[6-(3-aminophenyl)sulfanylpurin-9-yl]-2-(benzyloxycarbonylamino)propanoate CAS Name: 3-[6-[(3-aminophenyl)thio]-9-purinyl]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-(3-aminophenyl)sulfanylpurin-9-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-[6-[(3-aminophenyl)thio]purin-9-yl]-2-(benzyloxycarbonylamino)propionic acid tert-butyl ester Formula: C26H28N6O4S MolecularWeight: 520.60332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CN1C=NC2=C1N=CN=C2SC3=CC=CC(=C3)N)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C(CN1C=NC2=C1N=CN=C2SC3=CC=CC(=C3)N)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N6O4S/c1-26(2,3)36-24(33)20(31-25(34)35-14-17-8-5-4-6-9-17)13-32-16-30-21-22(32)28-15-29-23(21)37-19-11-7-10-18(27)12-19/h4-12,15-16,20H,13-14,27H2,1-3H3,(H,31,34)