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

Systemtic Name: 3-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]-4-methoxy-benzaldehyde Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C22H22N2O3S/c1-27-20-11-10-15(13-25)12-16(20)14-28-22-23-19-9-5-4-8-18(19)21(26)24(22)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3