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

Systemtic Name: N4,N6-bis(1,3-benzodioxol-5-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(1,3-benzodioxol-5-ylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(1,3-benzodioxol-5-ylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(1,3-benzodioxol-5-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(piperonylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C20H17N5O6 MolecularWeight: 423.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6/c26-25(27)18-19(21-7-12-1-3-14-16(5-12)30-10-28-14)23-9-24-20(18)22-8-13-2-4-15-17(6-13)31-11-29-15/h1-6,9H,7-8,10-11H2,(H2,21,22,23,24)