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

Systemtic Name: N-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Openeye Name: N-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine CAS Name: N-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-6-methoxy-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C20H16ClN5O4S MolecularWeight: 457.89014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C20H16ClN5O4S/c1-10-6-13(7-11(2)16(10)21)30-19-17(26(27)28)18(22-9-23-19)25-20-24-14-5-4-12(29-3)8-15(14)31-20/h4-9H,1-3H3,(H,22,23,24,25)