N6-(1,3-benzodioxol-5-yl)-N4-(2-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(2-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H12ClN5O4 MolecularWeight: 385.76128

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN5O4/c18-11-3-1-2-4-12(11)22-17-15(23(24)25)16(19-8-20-17)21-10-5-6-13-14(7-10)27-9-26-13/h1-8H,9H2,(H2,19,20,21,22)