1-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-3-ethyl-urea

Systemtic Name: 1-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-3-ethyl-urea Openeye Name: 1-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-3-ethyl-urea CAS Name: 1-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]-6-imidazo[4,5-b]pyridinyl]-3-ethylurea IUPAC Name: 1-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-3-ethylurea Traditional Name: 1-[2-butyl-5-methyl-3-(3-nitrobenzyl)imidazo[4,5-b]pyridin-6-yl]-3-ethyl-urea Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC(=C(N=C2N1CC3=CC(=CC=C3)[N+](=O)[O-])C)NC(=O)NCC

Isomeric SMILES

CCCCC1=NC2=CC(=C(N=C2N1CC3=CC(=CC=C3)[N+](=O)[O-])C)NC(=O)NCC

InChI

InChI=1S/C21H26N6O3/c1-4-6-10-19-24-18-12-17(25-21(28)22-5-2)14(3)23-20(18)26(19)13-15-8-7-9-16(11-15)27(29)30/h7-9,11-12H,4-6,10,13H2,1-3H3,(H2,22,25,28)