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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-cyclohexyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-cyclohexyl-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N5O4/c23-22(24)15-16(20-11-4-2-1-3-5-11)18-9-19-17(15)21-12-6-7-13-14(8-12)26-10-25-13/h6-9,11H,1-5,10H2,(H2,18,19,20,21)