N2-[1-(1-benzofuran-2-yl)ethyl]-N4-cyclopropyl-N2-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[1-(1-benzofuran-2-yl)ethyl]-N4-cyclopropyl-N2-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[1-(benzofuran-2-yl)ethyl]-N4-cyclopropyl-N2-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[1-(2-benzofuranyl)ethyl]-N4-cyclopropyl-N2-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[1-(1-benzofuran-2-yl)ethyl]-4-N-cyclopropyl-2-N-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: 1-(benzofuran-2-yl)ethyl-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-methyl-amine Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)N(C)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=CC=CC=C2O1)N(C)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3/c1-11(16-9-12-5-3-4-6-15(12)26-16)22(2)18-19-10-14(23(24)25)17(21-18)20-13-7-8-13/h3-6,9-11,13H,7-8H2,1-2H3,(H,19,20,21)