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

Systemtic Name: 6-methoxy-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-methoxy-1,3-benzothiazol-2-amine CAS Name: 6-methoxy-N-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methoxy-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-methoxy-1,3-benzothiazol-2-yl)amine Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O4S/c1-12(2)13-4-6-14(7-5-13)30-20-18(26(27)28)19(22-11-23-20)25-21-24-16-9-8-15(29-3)10-17(16)31-21/h4-12H,1-3H3,(H,22,23,24,25)