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

Systemtic Name: 4-methoxy-3-[[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzaldehyde Openeye Name: 3-[(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 4-methoxy-3-[[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzaldehyde Traditional Name: 3-[[(3-isobutyl-4-keto-quinazolin-2-yl)thio]methyl]-4-methoxy-benzaldehyde Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-14(2)11-23-20(25)17-6-4-5-7-18(17)22-21(23)27-13-16-10-15(12-24)8-9-19(16)26-3/h4-10,12,14H,11,13H2,1-3H3