3-butyl-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-butyl-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H26N6O2S/c1-2-3-11-28-20(30)17-7-4-5-8-18(17)25-22(28)31-16-19(29)26-12-14-27(15-13-26)21-23-9-6-10-24-21/h4-10H,2-3,11-16H2,1H3