3-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-(m-anisylthio)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC(=CC=C5)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC(=CC=C5)OC)C

InChI

InChI=1S/C29H29N3O3S/c1-19-13-20(2)15-23(14-19)32-28(34)25-10-9-22(27(33)31-11-4-5-12-31)17-26(25)30-29(32)36-18-21-7-6-8-24(16-21)35-3/h6-10,13-17H,4-5,11-12,18H2,1-3H3