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

Systemtic Name: 3-butan-2-yl-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-sec-butyl-quinazolin-4-one CAS Name: 3-butan-2-yl-2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-butan-2-yl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]-3-sec-butyl-quinazolin-4-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-6-13(2)24-20(26)16-9-7-8-10-18(16)22-21(24)27-12-19(25)17-11-14(3)23(5)15(17)4/h7-11,13H,6,12H2,1-5H3