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

Systemtic Name: [5-[5-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-3-methyl-4-piperazin-1-yl-pyridin-2-yl]-1H-pyrimidin-2-ylidene]methanone Openeye Name: [5-[5-(6-chlorobenzothiophen-2-yl)sulfonyl-3-methyl-4-piperazin-1-yl-2-pyridyl]-1H-pyrimidin-2-ylidene]methanone CAS Name: [5-[5-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-3-methyl-4-(1-piperazinyl)-2-pyridinyl]-1H-pyrimidin-2-ylidene]methanone IUPAC Name: [5-[5-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-3-methyl-4-piperazin-1-ylpyridin-2-yl]-1H-pyrimidin-2-ylidene]methanone Traditional Name: [5-[5-(6-chlorobenzothiophen-2-yl)sulfonyl-3-methyl-4-piperazino-2-pyridyl]-1H-pyrimidin-2-ylidene]methanone Formula: C23H20ClN5O3S2 MolecularWeight: 514.0196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN=C1C2=CNC(=C=O)N=C2)S(=O)(=O)C3=CC4=C(S3)C=C(C=C4)Cl)N5CCNCC5

Isomeric SMILES

CC1=C(C(=CN=C1C2=CNC(=C=O)N=C2)S(=O)(=O)C3=CC4=C(S3)C=C(C=C4)Cl)N5CCNCC5

InChI

InChI=1S/C23H20ClN5O3S2/c1-14-22(16-10-26-20(13-30)27-11-16)28-12-19(23(14)29-6-4-25-5-7-29)34(31,32)21-8-15-2-3-17(24)9-18(15)33-21/h2-3,8-12,25-26H,4-7H2,1H3