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

Systemtic Name: 2-[1-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]ethyl]-1H-quinazolin-4-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-13(18-22-16-7-3-2-6-15(16)19(25)23-18)27-17-9-8-14(12-21-17)20(26)24-10-4-5-11-24/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,22,23,25)