4-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]butanamide

Systemtic Name: 4-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]butanamide Openeye Name: 4-[2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide CAS Name: 4-[2-[(5-acetyl-2-methoxyphenyl)methylthio]-4-oxo-3-quinazolinyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]butanamide IUPAC Name: 4-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide Traditional Name: 4-[2-[(5-acetyl-2-methoxy-benzyl)thio]-4-keto-quinazolin-3-yl]-N-[3-(2-ketopyrrolidino)propyl]butyramide Formula: C29H34N4O5S MolecularWeight: 550.66906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCCN4CCCC4=O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCCN4CCCC4=O

InChI

InChI=1S/C29H34N4O5S/c1-20(34)21-12-13-25(38-2)22(18-21)19-39-29-31-24-9-4-3-8-23(24)28(37)33(29)17-5-10-26(35)30-14-7-16-32-15-6-11-27(32)36/h3-4,8-9,12-13,18H,5-7,10-11,14-17,19H2,1-2H3,(H,30,35)