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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O3S/c1-12(2)13-7-9-14(10-8-13)28-19-17(25(26)27)18(21-11-22-19)24-20-23-15-5-3-4-6-16(15)29-20/h3-12H,1-2H3,(H,21,22,23,24)