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

Systemtic Name: 4-methoxy-3-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzaldehyde Openeye Name: 3-[(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 4-methoxy-3-[[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzaldehyde Traditional Name: 3-[[(3-isoamyl-4-keto-quinazolin-2-yl)thio]methyl]-4-methoxy-benzaldehyde Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C=O)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C=O)OC

InChI

InChI=1S/C22H24N2O3S/c1-15(2)10-11-24-21(26)18-6-4-5-7-19(18)23-22(24)28-14-17-12-16(13-25)8-9-20(17)27-3/h4-9,12-13,15H,10-11,14H2,1-3H3