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

Systemtic Name: 6-methoxy-N-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: 6-methoxy-N-[5-nitro-6-(2-phenylhydrazino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 6-methoxy-N-[5-nitro-6-(phenylhydrazo)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methoxy-N-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]amine Formula: C18H15N7O3S MolecularWeight: 409.4218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NNC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NNC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N7O3S/c1-28-12-7-8-13-14(9-12)29-18(21-13)22-16-15(25(26)27)17(20-10-19-16)24-23-11-5-3-2-4-6-11/h2-10,23H,1H3,(H2,19,20,21,22,24)