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

Systemtic Name: 2-[1-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethyl]-1H-quinazolin-4-one Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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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)N4CCCC4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H20N4O3S2/c1-13(18-21-16-7-3-2-6-15(16)19(24)22-18)27-17-9-8-14(12-20-17)28(25,26)23-10-4-5-11-23/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,21,22,24)