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

Systemtic Name: methyl (1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(6-pyrrol-1-ylpurin-9-yl)methyl]cyclopropane-1-carboxylate Openeye Name: methyl (1S,2S)-1-(tert-butoxycarbonylamino)-2-[(6-pyrrol-1-ylpurin-9-yl)methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[6-(1-pyrrolyl)-9-purinyl]methyl]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(6-pyrrol-1-ylpurin-9-yl)methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-1-(tert-butoxycarbonylamino)-2-[(6-pyrrol-1-ylpurin-9-yl)methyl]cyclopropanecarboxylic acid methyl ester Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CC1CN2C=NC3=C2N=CN=C3N4C=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@]1(C[C@H]1CN2C=NC3=C2N=CN=C3N4C=CC=C4)C(=O)OC

InChI

InChI=1S/C20H24N6O4/c1-19(2,3)30-18(28)24-20(17(27)29-4)9-13(20)10-26-12-23-14-15(21-11-22-16(14)26)25-7-5-6-8-25/h5-8,11-13H,9-10H2,1-4H3,(H,24,28)/t13-,20-/m0/s1