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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c1-19-16-23(20(2)30(19)17-21-10-5-4-6-11-21)25(31)18-34-27-28-24-13-8-7-12-22(24)26(32)29(27)14-9-15-33-3/h4-8,10-13,16H,9,14-15,17-18H2,1-3H3