3-(3-methoxyphenyl)-2-(phenylmethylsulfanyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(3-methoxyphenyl)-2-(phenylmethylsulfanyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-7-[oxo(1-pyrrolidinyl)methyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C27H25N3O3S MolecularWeight: 471.5707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3S/c1-33-22-11-7-10-21(17-22)30-26(32)23-13-12-20(25(31)29-14-5-6-15-29)16-24(23)28-27(30)34-18-19-8-3-2-4-9-19/h2-4,7-13,16-17H,5-6,14-15,18H2,1H3