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

Systemtic Name: 3-butan-2-yl-2-[2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-sec-butyl-quinazolin-4-one CAS Name: 3-butan-2-yl-2-[[2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-butan-2-yl-2-[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]-3-sec-butyl-quinazolin-4-one Formula: C27H29N3O3S MolecularWeight: 475.60246

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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)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H29N3O3S/c1-6-17(2)30-26(32)22-9-7-8-10-24(22)28-27(30)34-16-25(31)23-15-18(3)29(19(23)4)20-11-13-21(33-5)14-12-20/h7-15,17H,6,16H2,1-5H3