N6-(1,3-benzodioxol-5-yl)-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4,N4-diisobutyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4,N4-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-diisobutyl-amine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CN(CC(C)C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H25N5O4/c1-12(2)8-23(9-13(3)4)19-17(24(25)26)18(20-10-21-19)22-14-5-6-15-16(7-14)28-11-27-15/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,20,21,22)