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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(phenethylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c26-25(27)18-19(21-9-8-14-4-2-1-3-5-14)23-12-24-20(18)22-11-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,12H,8-9,11,13H2,(H2,21,22,23,24)