2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(furan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-chloro-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-chloro-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-chloro-3-(2-furfuryl)quinazolin-4-one Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C21H22ClN3O3S/c22-15-7-8-17-18(12-15)23-21(25(20(17)27)13-16-6-5-11-28-16)29-14-19(26)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10,13-14H2