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

Systemtic Name: N4,N6-bis(1,3-benzodioxol-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(1,3-benzodioxol-5-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(1,3-benzodioxol-5-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(1,3-benzodioxol-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H13N5O6 MolecularWeight: 395.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O6/c24-23(25)16-17(21-10-1-3-12-14(5-10)28-8-26-12)19-7-20-18(16)22-11-2-4-13-15(6-11)29-9-27-13/h1-7H,8-9H2,(H2,19,20,21,22)