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

Systemtic Name: N-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-(4-ethylphenoxy)-5-nitro-4-pyrimidinyl]-4-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(C=CC=C4S3)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(C=CC=C4S3)C

InChI

InChI=1S/C20H17N5O3S/c1-3-13-7-9-14(10-8-13)28-19-17(25(26)27)18(21-11-22-19)24-20-23-16-12(2)5-4-6-15(16)29-20/h4-11H,3H2,1-2H3,(H,21,22,23,24)