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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-piperonyl-amine Formula: C18H15N5O4 MolecularWeight: 365.3428

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4

InChI

InChI=1S/C18H15N5O4/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/h1-8,10H,9,11H2,(H2,19,20,21,22)