3-(4-butan-2-ylphenyl)-7-chloranyl-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C4=C(N(C(=C4)C)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C4=C(N(C(=C4)C)C)C

InChI

InChI=1S/C27H28ClN3O2S/c1-6-16(2)19-7-10-21(11-8-19)31-26(33)22-12-9-20(28)14-24(22)29-27(31)34-15-25(32)23-13-17(3)30(5)18(23)4/h7-14,16H,6,15H2,1-5H3