2-[7-chloranyl-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]-N-(1-cyanocyclopentyl)acetamide Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCC3)C#N)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3(CCCC3)C#N)O

InChI

InChI=1S/C19H21ClN4O3S/c1-12(25)9-24-17(27)14-5-4-13(20)8-15(14)22-18(24)28-10-16(26)23-19(11-21)6-2-3-7-19/h4-5,8,12,25H,2-3,6-7,9-10H2,1H3,(H,23,26)/t12-/m1/s1