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

Systemtic Name: 2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[2-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-oxoethyl]thio]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl]thio]-3-(o-tolyl)quinazolin-4-one Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC5CCCO5)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC5CCCO5)C

InChI

InChI=1S/C28H29N3O3S/c1-18-9-4-7-13-25(18)31-27(33)22-11-5-6-12-24(22)29-28(31)35-17-26(32)23-15-19(2)30(20(23)3)16-21-10-8-14-34-21/h4-7,9,11-13,15,21H,8,10,14,16-17H2,1-3H3