methyl (2S)-4-(2-azanyl-6-chloranyl-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: methyl (2S)-4-(2-azanyl-6-chloranyl-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: methyl (2S)-4-(2-amino-6-chloro-purin-9-yl)-2-(tert-butoxycarbonylamino)butanoate CAS Name: (2S)-4-(2-amino-6-chloro-9-purinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-(2-amino-6-chloropurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-4-(2-amino-6-chloro-purin-9-yl)-2-(tert-butoxycarbonylamino)butyric acid methyl ester Formula: C15H21ClN6O4 MolecularWeight: 384.81804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCN1C=NC2=C1N=C(N=C2Cl)N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCN1C=NC2=C1N=C(N=C2Cl)N)C(=O)OC

InChI

InChI=1S/C15H21ClN6O4/c1-15(2,3)26-14(24)19-8(12(23)25-4)5-6-22-7-18-9-10(16)20-13(17)21-11(9)22/h7-8H,5-6H2,1-4H3,(H,19,24)(H2,17,20,21)/t8-/m0/s1