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

Systemtic Name: 6-methyl-N-(5-nitro-6-phenoxy-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: 6-methyl-N-(5-nitro-6-phenoxy-pyrimidin-4-yl)-1,3-benzothiazol-2-amine CAS Name: 6-methyl-N-(5-nitro-6-phenoxy-4-pyrimidinyl)-1,3-benzothiazol-2-amine IUPAC Name: 6-methyl-N-(5-nitro-6-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: (6-methyl-1,3-benzothiazol-2-yl)-(5-nitro-6-phenoxy-pyrimidin-4-yl)amine Formula: C18H13N5O3S MolecularWeight: 379.39252

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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=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O3S/c1-11-7-8-13-14(9-11)27-18(21-13)22-16-15(23(24)25)17(20-10-19-16)26-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,21,22)