4-methoxy-3-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanylmethyl]benzaldehyde

Systemtic Name: 4-methoxy-3-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanylmethyl]benzaldehyde Openeye Name: 4-methoxy-3-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanylmethyl]benzaldehyde CAS Name: 4-methoxy-3-[[(9-methyl-6-oxo-3H-purin-8-yl)thio]methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanylmethyl]benzaldehyde Traditional Name: 3-[[(6-keto-9-methyl-3H-purin-8-yl)thio]methyl]-4-methoxy-benzaldehyde Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=CN2)N=C1SCC3=C(C=CC(=C3)C=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N=CN2)N=C1SCC3=C(C=CC(=C3)C=O)OC

InChI

InChI=1S/C15H14N4O3S/c1-19-13-12(14(21)17-8-16-13)18-15(19)23-7-10-5-9(6-20)3-4-11(10)22-2/h3-6,8H,7H2,1-2H3,(H,16,17,21)