4-methoxy-3-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzaldehyde

Systemtic Name: 4-methoxy-3-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzaldehyde Openeye Name: 4-methoxy-3-[[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzaldehyde CAS Name: 4-methoxy-3-[[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzaldehyde Traditional Name: 3-[[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C22H22N2O4S/c1-27-20-9-8-15(13-25)11-16(20)14-29-22-23-19-7-3-2-6-18(19)21(26)24(22)12-17-5-4-10-28-17/h2-3,6-9,11,13,17H,4-5,10,12,14H2,1H3