2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)ethanamide Openeye Name: 2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-N-(1-cyanocyclohexyl)acetamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C22H21ClN4O3S/c23-15-6-7-17-18(11-15)25-21(27(20(17)29)12-16-5-4-10-30-16)31-13-19(28)26-22(14-24)8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12-13H2,(H,26,28)