[5-[2-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-5,6-dimethyl-3-piperazin-1-yl-pyridin-4-yl]-1H-pyrimidin-2-ylidene]methanone

Systemtic Name: [5-[2-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-5,6-dimethyl-3-piperazin-1-yl-pyridin-4-yl]-1H-pyrimidin-2-ylidene]methanone Openeye Name: [5-[2-(6-chlorobenzothiophen-2-yl)sulfonyl-5,6-dimethyl-3-piperazin-1-yl-4-pyridyl]-1H-pyrimidin-2-ylidene]methanone CAS Name: [5-[2-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-5,6-dimethyl-3-(1-piperazinyl)-4-pyridinyl]-1H-pyrimidin-2-ylidene]methanone IUPAC Name: [5-[2-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-5,6-dimethyl-3-piperazin-1-ylpyridin-4-yl]-1H-pyrimidin-2-ylidene]methanone Traditional Name: [5-[2-(6-chlorobenzothiophen-2-yl)sulfonyl-5,6-dimethyl-3-piperazino-4-pyridyl]-1H-pyrimidin-2-ylidene]methanone Formula: C24H22ClN5O3S2 MolecularWeight: 528.04618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1C)S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)N4CCNCC4)C5=CNC(=C=O)N=C5

Isomeric SMILES

CC1=C(C(=C(N=C1C)S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)N4CCNCC4)C5=CNC(=C=O)N=C5

InChI

InChI=1S/C24H22ClN5O3S2/c1-14-15(2)29-24(35(32,33)21-9-16-3-4-18(25)10-19(16)34-21)23(30-7-5-26-6-8-30)22(14)17-11-27-20(13-31)28-12-17/h3-4,9-12,26-27H,5-8H2,1-2H3