N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C22H16N6O3S MolecularWeight: 444.46584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H16N6O3S/c1-31-14-9-10-17-18(11-14)32-22(26-17)27-21-19(28(29)30)20(23-12-24-21)25-16-8-4-6-13-5-2-3-7-15(13)16/h2-12H,1H3,(H2,23,24,25,26,27)