N4-butyl-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butyl-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H21N5O4/c1-3-4-7-21(2)17-15(22(23)24)16(18-11-19-17)20-12-5-6-13-14(10-12)26-9-8-25-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,19,20)