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

Systemtic Name: 2-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 2-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-isopropoxypropyl)quinazolin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]thio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(3-isopropoxypropyl)quinazolin-4-one Formula: C29H33N3O3S MolecularWeight: 503.65562

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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)N3CCCOC(C)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC(C)C

InChI

InChI=1S/C29H33N3O3S/c1-20(2)35-16-10-15-31-28(34)24-13-8-9-14-26(24)30-29(31)36-19-27(33)25-17-21(3)32(22(25)4)18-23-11-6-5-7-12-23/h5-9,11-14,17,20H,10,15-16,18-19H2,1-4H3