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

Systemtic Name: tert-butyl 4-azanyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]benzimidazole-1-carboxylate Openeye Name: tert-butyl 4-amino-2-[3-(tert-butoxycarbonylamino)propylamino]benzimidazole-1-carboxylate CAS Name: 4-amino-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propylamino]-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]benzimidazole-1-carboxylate Traditional Name: 4-amino-2-[3-(tert-butoxycarbonylamino)propylamino]benzimidazole-1-carboxylic acid tert-butyl ester Formula: C20H31N5O4 MolecularWeight: 405.49124

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5O4/c1-19(2,3)28-17(26)23-12-8-11-22-16-24-15-13(21)9-7-10-14(15)25(16)18(27)29-20(4,5)6/h7,9-10H,8,11-12,21H2,1-6H3,(H,22,24)(H,23,26)