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

Systemtic Name: 7H-purin-6-ylsulfanylmethyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: 7H-purin-6-ylsulfanylmethyl 2-(tert-butoxycarbonylamino)-2-methyl-propanoate CAS Name: 2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (7H-purin-6-ylthio)methyl ester IUPAC Name: 7H-purin-6-ylsulfanylmethyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-2-methyl-propionic acid (7H-purin-6-ylthio)methyl ester Formula: C15H21N5O4S MolecularWeight: 367.42334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O4S/c1-14(2,3)24-13(22)20-15(4,5)12(21)23-8-25-11-9-10(17-6-16-9)18-7-19-11/h6-7H,8H2,1-5H3,(H,20,22)(H,16,17,18,19)