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

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CC)C

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CC)C

InChI

InChI=1S/C22H27N3O2S/c1-6-14(3)25-21(27)17-10-8-9-11-19(17)23-22(25)28-13-20(26)18-12-15(4)24(7-2)16(18)5/h8-12,14H,6-7,13H2,1-5H3/t14-/m0/s1