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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H15N5O4 MolecularWeight: 401.3749

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O4/c27-26(28)19-20(24-14-8-9-17-18(10-14)30-12-29-17)22-11-23-21(19)25-16-7-3-5-13-4-1-2-6-15(13)16/h1-11H,12H2,(H2,22,23,24,25)