2-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-pyridylmethyl)quinazolin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]thio]-3-(3-pyridinylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(3-pyridylmethyl)quinazolin-4-one Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

InChI

InChI=1S/C29H26N4O2S/c1-20-15-25(21(2)32(20)17-22-9-4-3-5-10-22)27(34)19-36-29-31-26-13-7-6-12-24(26)28(35)33(29)18-23-11-8-14-30-16-23/h3-16H,17-19H2,1-2H3