6,7-dimethoxy-3-[4-oxidanylidene-4-(2-thiophen-3-ylpyrrolidin-1-yl)butyl]quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-3-[4-oxidanylidene-4-(2-thiophen-3-ylpyrrolidin-1-yl)butyl]quinazolin-4-one Openeye Name: 6,7-dimethoxy-3-[4-oxo-4-[2-(3-thienyl)pyrrolidin-1-yl]butyl]quinazolin-4-one CAS Name: 6,7-dimethoxy-3-[4-oxo-4-[2-(3-thiophenyl)-1-pyrrolidinyl]butyl]-4-quinazolinone IUPAC Name: 6,7-dimethoxy-3-[4-oxo-4-(2-thiophen-3-ylpyrrolidin-1-yl)butyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-[2-(3-thienyl)pyrrolidino]butyl]-6,7-dimethoxy-quinazolin-4-one Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)N3CCCC3C4=CSC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)N3CCCC3C4=CSC=C4)OC

InChI

InChI=1S/C22H25N3O4S/c1-28-19-11-16-17(12-20(19)29-2)23-14-24(22(16)27)8-4-6-21(26)25-9-3-5-18(25)15-7-10-30-13-15/h7,10-14,18H,3-6,8-9H2,1-2H3