[5-[5-(6-chloranylnaphthalen-2-yl)sulfonyl-2-(hydroxymethyl)-4-piperazin-1-yl-pyridin-3-yl]-1H-pyrimidin-2-ylidene]methanone

Systemtic Name: [5-[5-(6-chloranylnaphthalen-2-yl)sulfonyl-2-(hydroxymethyl)-4-piperazin-1-yl-pyridin-3-yl]-1H-pyrimidin-2-ylidene]methanone Openeye Name: [5-[5-[(6-chloro-2-naphthyl)sulfonyl]-2-(hydroxymethyl)-4-piperazin-1-yl-3-pyridyl]-1H-pyrimidin-2-ylidene]methanone CAS Name: [5-[5-[(6-chloro-2-naphthalenyl)sulfonyl]-2-(hydroxymethyl)-4-(1-piperazinyl)-3-pyridinyl]-1H-pyrimidin-2-ylidene]methanone IUPAC Name: [5-[5-(6-chloronaphthalen-2-yl)sulfonyl-2-(hydroxymethyl)-4-piperazin-1-ylpyridin-3-yl]-1H-pyrimidin-2-ylidene]methanone Traditional Name: [5-[5-[(6-chloro-2-naphthyl)sulfonyl]-2-methylol-4-piperazino-3-pyridyl]-1H-pyrimidin-2-ylidene]methanone Formula: C25H22ClN5O4S MolecularWeight: 523.99128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C(=NC=C2S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)CO)C5=CNC(=C=O)N=C5

Isomeric SMILES

C1CN(CCN1)C2=C(C(=NC=C2S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)CO)C5=CNC(=C=O)N=C5

InChI

InChI=1S/C25H22ClN5O4S/c26-19-3-1-17-10-20(4-2-16(17)9-19)36(34,35)22-13-28-21(14-32)24(18-11-29-23(15-33)30-12-18)25(22)31-7-5-27-6-8-31/h1-4,9-13,27,29,32H,5-8,14H2