2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-(3-pyridylmethyl)quinazolin-4-one CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-(3-pyridinylmethyl)-4-quinazolinone IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-(3-pyridylmethyl)quinazolin-4-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(24-11-4-1-5-12-24)15-28-21-23-18-9-3-2-8-17(18)20(27)25(21)14-16-7-6-10-22-13-16/h2-3,6-10,13H,1,4-5,11-12,14-15H2