7H-purin-6-ylsulfanylmethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: 7H-purin-6-ylsulfanylmethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: 7H-purin-6-ylsulfanylmethyl 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (7H-purin-6-ylthio)methyl ester IUPAC Name: 7H-purin-6-ylsulfanylmethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid (7H-purin-6-ylthio)methyl ester Formula: C14H19N5O4S MolecularWeight: 353.39676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C14H19N5O4S/c1-14(2,3)23-13(21)15-5-4-9(20)22-8-24-12-10-11(17-6-16-10)18-7-19-12/h6-7H,4-5,8H2,1-3H3,(H,15,21)(H,16,17,18,19)