6-methyl-N-(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine

Systemtic Name: 6-methyl-N-(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: 6-methyl-N-[6-(2-naphthyloxy)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 6-methyl-N-[6-(2-naphthalenyloxy)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methyl-N-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: (6-methyl-1,3-benzothiazol-2-yl)-[6-(2-naphthoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C22H15N5O3S MolecularWeight: 429.4512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O3S/c1-13-6-9-17-18(10-13)31-22(25-17)26-20-19(27(28)29)21(24-12-23-20)30-16-8-7-14-4-2-3-5-15(14)11-16/h2-12H,1H3,(H,23,24,25,26)