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

Systemtic Name: 6-methyl-N-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: 6-methyl-N-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methyl-N-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CC=C(C=C4)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CC=C(C=C4)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3S/c1-12(2)14-5-7-15(8-6-14)29-20-18(26(27)28)19(22-11-23-20)25-21-24-16-9-4-13(3)10-17(16)30-21/h4-12H,1-3H3,(H,22,23,24,25)