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

Systemtic Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Openeye Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one CAS Name: 2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-[[(2R)-2-oxolanyl]methyl]-4-quinazolinone IUPAC Name: 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Traditional Name: 2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C[C@H]4CCCO4)C

InChI

InChI=1S/C23H27N3O3S/c1-4-25-15(2)12-19(16(25)3)21(27)14-30-23-24-20-10-6-5-9-18(20)22(28)26(23)13-17-8-7-11-29-17/h5-6,9-10,12,17H,4,7-8,11,13-14H2,1-3H3/t17-/m1/s1