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

Systemtic Name: [5-[4-[(5-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3-piperazin-1-yl-pyridin-2-yl]-1H-pyrimidin-2-ylidene]methanone Openeye Name: [5-[4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3-piperazin-1-yl-2-pyridyl]-1H-pyrimidin-2-ylidene]methanone CAS Name: [5-[4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3-(1-piperazinyl)-2-pyridinyl]-1H-pyrimidin-2-ylidene]methanone IUPAC Name: [5-[4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3-piperazin-1-ylpyridin-2-yl]-1H-pyrimidin-2-ylidene]methanone Traditional Name: [5-[4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3-piperazino-2-pyridyl]-1H-pyrimidin-2-ylidene]methanone Formula: C23H23ClN6O3S MolecularWeight: 498.98512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=CC=C2)Cl)S(=O)(=O)C3=C(C(=NC=C3)C4=CNC(=C=O)N=C4)N5CCNCC5

Isomeric SMILES

C1CN(CC2=C1C(=CC=C2)Cl)S(=O)(=O)C3=C(C(=NC=C3)C4=CNC(=C=O)N=C4)N5CCNCC5

InChI

InChI=1S/C23H23ClN6O3S/c24-19-3-1-2-16-14-30(9-5-18(16)19)34(32,33)20-4-6-26-22(17-12-27-21(15-31)28-13-17)23(20)29-10-7-25-8-11-29/h1-4,6,12-13,25,27H,5,7-11,14H2