7-chloranyl-3-(furan-2-ylmethyl)-2-(4-morpholin-4-yl-4-oxidanylidene-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(furan-2-ylmethyl)-2-(4-morpholin-4-yl-4-oxidanylidene-butyl)sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-(2-furylmethyl)-2-(4-morpholino-4-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(2-furanylmethyl)-2-[[4-(4-morpholinyl)-4-oxobutyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(furan-2-ylmethyl)-2-(4-morpholin-4-yl-4-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 7-chloro-3-(2-furfuryl)-2-[(4-keto-4-morpholino-butyl)thio]quinazolin-4-one Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

Isomeric SMILES

C1COCCN1C(=O)CCCSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C21H22ClN3O4S/c22-15-5-6-17-18(13-15)23-21(25(20(17)27)14-16-3-1-9-29-16)30-12-2-4-19(26)24-7-10-28-11-8-24/h1,3,5-6,9,13H,2,4,7-8,10-12,14H2