7H-purin-6-ylsulfanylmethyl 2-azanyl-2-methyl-propanoate

Systemtic Name: 7H-purin-6-ylsulfanylmethyl 2-azanyl-2-methyl-propanoate Openeye Name: 7H-purin-6-ylsulfanylmethyl 2-amino-2-methyl-propanoate CAS Name: 2-amino-2-methylpropanoic acid (7H-purin-6-ylthio)methyl ester IUPAC Name: 7H-purin-6-ylsulfanylmethyl 2-amino-2-methylpropanoate Traditional Name: 2-amino-2-methyl-propionic acid (7H-purin-6-ylthio)methyl ester Formula: C10H13N5O2S MolecularWeight: 267.30752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N5O2S/c1-10(2,11)9(16)17-5-18-8-6-7(13-3-12-6)14-4-15-8/h3-4H,5,11H2,1-2H3,(H,12,13,14,15)