2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-oxoethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl]thio]-1H-quinazolin-4-one Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O3S/c1-13-10-17(14(2)24(13)11-15-6-5-9-27-15)19(25)12-28-21-22-18-8-4-3-7-16(18)20(26)23-21/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,22,23,26)