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

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2-[(4-vinylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(4-ethenylphenyl)methylthio]-3-(3-methoxyphenyl)-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2-[(4-vinylbenzyl)thio]quinazolin-4-one Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC=C(C=C5)C=C

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC=C(C=C5)C=C

InChI

InChI=1S/C29H27N3O3S/c1-3-20-9-11-21(12-10-20)19-36-29-30-26-17-22(27(33)31-15-4-5-16-31)13-14-25(26)28(34)32(29)23-7-6-8-24(18-23)35-2/h3,6-14,17-18H,1,4-5,15-16,19H2,2H3