7-chloranyl-3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propyl]-6-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propyl]-6-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 7-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxo-propyl]-6-(4-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 7-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-6-(pyridin-4-ylmethylthio)-4-quinazolinone IUPAC Name: 7-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 7-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-keto-propyl]-6-(4-pyridylmethylthio)quinazolin-4-one Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)SCC4=CC=NC=C4)Cl)O

Isomeric SMILES

C1C[C@@H]([C@H](NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)SCC4=CC=NC=C4)Cl)O

InChI

InChI=1S/C22H23ClN4O3S/c23-17-10-18-16(9-21(17)31-12-14-3-6-24-7-4-14)22(30)27(13-26-18)11-15(28)8-19-20(29)2-1-5-25-19/h3-4,6-7,9-10,13,19-20,25,29H,1-2,5,8,11-12H2/t19-,20+/m1/s1