methyl (1S,2S)-2-[(6-aminopurin-9-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

Systemtic Name: methyl (1S,2S)-2-[(6-aminopurin-9-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate Openeye Name: methyl (1S,2S)-2-[(6-aminopurin-9-yl)methyl]-1-(tert-butoxycarbonylamino)cyclopropanecarboxylate CAS Name: (1S,2S)-2-[(6-aminopurin-9-yl)methyl]-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-[(6-aminopurin-9-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-(adenin-9-ylmethyl)-1-(tert-butoxycarbonylamino)cyclopropanecarboxylic acid methyl ester Formula: C16H22N6O4 MolecularWeight: 362.38368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CC1CN2C=NC3=C2N=CN=C3N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@]1(C[C@H]1CN2C=NC3=C2N=CN=C3N)C(=O)OC

InChI

InChI=1S/C16H22N6O4/c1-15(2,3)26-14(24)21-16(13(23)25-4)5-9(16)6-22-8-20-10-11(17)18-7-19-12(10)22/h7-9H,5-6H2,1-4H3,(H,21,24)(H2,17,18,19)/t9-,16-/m0/s1