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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-cyclohexyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexyl-5-nitropyrimidine-4,6-diamine Traditional Name: cyclohexyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c24-23(25)16-17(19-9-12-6-7-14-15(8-12)27-11-26-14)20-10-21-18(16)22-13-4-2-1-3-5-13/h6-8,10,13H,1-5,9,11H2,(H2,19,20,21,22)