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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)OC4=CC(=C(C=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)OC4=CC(=C(C=C4)C)C)[N+](=O)[O-]

InChI

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