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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC)C

InChI

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