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

Systemtic Name: 3-cyclopentyl-2-[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[2-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclopentyl-2-[[2-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-cyclopentyl-2-[[2-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-keto-ethyl]thio]quinazolin-4-one Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

CC1=CC(=C(N1C[C@H]2CCCO2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C26H31N3O3S/c1-17-14-22(18(2)28(17)15-20-10-7-13-32-20)24(30)16-33-26-27-23-12-6-5-11-21(23)25(31)29(26)19-8-3-4-9-19/h5-6,11-12,14,19-20H,3-4,7-10,13,15-16H2,1-2H3/t20-/m1/s1