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

Systemtic Name: 3-cyclopropyl-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclopropyl-2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-cyclopropyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-cyclopropyl-2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H22N6O2S/c28-18(25-10-12-26(13-11-25)20-22-8-3-9-23-20)14-30-21-24-17-5-2-1-4-16(17)19(29)27(21)15-6-7-15/h1-5,8-9,15H,6-7,10-14H2