N-[C-(4,6-dimethylpyrimidin-2-yl)azanidyl-N-phenyl-carbonimidoyl]-10H-phenothiazin-10-ium-10-carboximidate

Systemtic Name: N-[C-(4,6-dimethylpyrimidin-2-yl)azanidyl-N-phenyl-carbonimidoyl]-10H-phenothiazin-10-ium-10-carboximidate Openeye Name: N-[C-(4,6-dimethylpyrimidin-2-yl)azanidyl-N-phenyl-carbonimidoyl]-10H-phenothiazin-10-ium-10-carboximidate CAS Name: N-[(4,6-dimethyl-2-pyrimidinyl)azanidyl-phenyliminomethyl]-10H-phenothiazin-10-ium-10-carboximidate IUPAC Name: N-[C-(4,6-dimethylpyrimidin-2-yl)azanidyl-N-phenylcarbonimidoyl]-10H-phenothiazin-10-ium-10-carboximidate Traditional Name: N-[C-(4,6-dimethylpyrimidin-2-yl)azanidyl-N-phenyl-carbonimidoyl]-10H-phenothiazin-10-ium-10-carboximidate Formula: C26H21N6OS- MolecularWeight: 465.54954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]C(=NC2=CC=CC=C2)N=C([NH+]3C4=CC=CC=C4SC5=CC=CC=C53)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]C(=NC2=CC=CC=C2)N=C([NH+]3C4=CC=CC=C4SC5=CC=CC=C53)[O-])C

InChI

InChI=1S/C26H21N6OS/c1-17-16-18(2)28-24(27-17)30-25(29-19-10-4-3-5-11-19)31-26(33)32-20-12-6-8-14-22(20)34-23-15-9-7-13-21(23)32/h3-16H,1-2H3,(H-,27,28,29,30,31,33)/q-1