2-[1-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(5-piperidinosulfonyl-2-pyridyl)thio]ethyl]-1H-quinazolin-4-one Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H22N4O3S2/c1-14(19-22-17-8-4-3-7-16(17)20(25)23-19)28-18-10-9-15(13-21-18)29(26,27)24-11-5-2-6-12-24/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,22,23,25)