7-chloranyl-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C21H21ClN6O2S MolecularWeight: 456.94844

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H21ClN6O2S/c1-2-8-28-19(30)16-5-4-15(22)13-17(16)25-21(28)31-14-18(29)26-9-11-27(12-10-26)20-23-6-3-7-24-20/h2-7,13H,1,8-12,14H2