2-[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C22H25N3O3S/c1-6-11-25-21(28)16-9-7-8-10-17(16)24-22(25)29-15(5)20(27)19-12(2)18(14(4)26)13(3)23-19/h7-10,15,23H,6,11H2,1-5H3/t15-/m1/s1