tert-butyl 4-azanyl-5-iodanyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-5-iodanyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]benzimidazole-1-carboxylate Openeye Name: tert-butyl 4-amino-2-[3-(tert-butoxycarbonylamino)propylamino]-5-iodo-benzimidazole-1-carboxylate CAS Name: 4-amino-5-iodo-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propylamino]-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-5-iodo-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]benzimidazole-1-carboxylate Traditional Name: 4-amino-2-[3-(tert-butoxycarbonylamino)propylamino]-5-iodo-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C20H30IN5O4 MolecularWeight: 531.38777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2N)I

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2N)I

InChI

InChI=1S/C20H30IN5O4/c1-19(2,3)29-17(27)24-11-7-10-23-16-25-15-13(9-8-12(21)14(15)22)26(16)18(28)30-20(4,5)6/h8-9H,7,10-11,22H2,1-6H3,(H,23,25)(H,24,27)