6-methoxy-N-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine

Systemtic Name: 6-methoxy-N-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: 6-methoxy-N-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 6-methoxy-N-[6-(4-methoxyphenoxy)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methoxy-N-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H15N5O5S MolecularWeight: 425.4179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C19H15N5O5S/c1-27-11-3-5-12(6-4-11)29-18-16(24(25)26)17(20-10-21-18)23-19-22-14-8-7-13(28-2)9-15(14)30-19/h3-10H,1-2H3,(H,20,21,22,23)