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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-(1,3-benzodioxol-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H19N5O4 MolecularWeight: 441.43876

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H19N5O4/c30-29(31)22-23(27-18-11-12-19-20(13-18)33-15-32-19)25-14-26-24(22)28-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H2,25,26,27,28)