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

Systemtic Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Openeye Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine CAS Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-6-methoxy-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)OC)C

InChI

InChI=1S/C20H17N5O4S/c1-11-6-12(2)8-14(7-11)29-19-17(25(26)27)18(21-10-22-19)24-20-23-15-5-4-13(28-3)9-16(15)30-20/h4-10H,1-3H3,(H,21,22,23,24)