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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(N=C(C=C2S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)CO)C5=NC=CC(=C=O)N5

Isomeric SMILES

C1CN(CCN1)C2=C(N=C(C=C2S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)CO)C5=NC=CC(=C=O)N5

InChI

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