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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)C(C)COC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)C(C)COC)C

InChI

InChI=1S/C27H29N3O3S/c1-17-9-8-10-21(13-17)30-26(32)22-11-6-7-12-24(22)28-27(30)34-16-25(31)23-14-18(2)29(20(23)4)19(3)15-33-5/h6-14,19H,15-16H2,1-5H3