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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1N2CCNCC2)C3=CNC(=C=O)N=C3)C)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

CC1=C(N=C(C(=C1N2CCNCC2)C3=CNC(=C=O)N=C3)C)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

InChI

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