N4-cyclopropyl-N2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N2-ethyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-N2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N2-ethyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N2-ethyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N2-ethyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-N-ethyl-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-ethyl-amine Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1COC2=CC=CC=C2O1)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-2-22(10-13-11-26-15-5-3-4-6-16(15)27-13)18-19-9-14(23(24)25)17(21-18)20-12-7-8-12/h3-6,9,12-13H,2,7-8,10-11H2,1H3,(H,19,20,21)