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

Systemtic Name: 2-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Openeye Name: 2-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]thio]-3-[[(2R)-2-oxolanyl]methyl]-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Traditional Name: 2-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C[C@H]4CCCO4

InChI

InChI=1S/C24H29N3O3S/c1-15(2)27-16(3)12-20(17(27)4)22(28)14-31-24-25-21-10-6-5-9-19(21)23(29)26(24)13-18-8-7-11-30-18/h5-6,9-10,12,15,18H,7-8,11,13-14H2,1-4H3/t18-/m1/s1