2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenothiazin-10-yl-ethanone CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-phenothiazin-10-ylethanone Traditional Name: 2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-phenothiazin-10-yl-ethanone Formula: C27H21N5OS2 MolecularWeight: 495.61854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)C

InChI

InChI=1S/C27H21N5OS2/c1-17-11-12-19(13-18(17)2)32-26-20(14-30-32)27(29-16-28-26)34-15-25(33)31-21-7-3-5-9-23(21)35-24-10-6-4-8-22(24)31/h3-14,16H,15H2,1-2H3