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

Systemtic Name: 2-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-keto-2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]-1H-quinazolin-4-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H23N3O3S/c1-12-9-16(14(3)23(12)13(2)10-26-4)18(24)11-27-20-21-17-8-6-5-7-15(17)19(25)22-20/h5-9,13H,10-11H2,1-4H3,(H,21,22,25)