4-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]benzaldehyde

Systemtic Name: 4-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]benzaldehyde Openeye Name: 4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]benzaldehyde CAS Name: 4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]benzaldehyde IUPAC Name: 4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]benzaldehyde Traditional Name: 4-[[6-amino-8-keto-2-(2-methoxyethoxy)-7H-purin-9-yl]methyl]benzaldehyde Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)C=O

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)C=O

InChI

InChI=1S/C16H17N5O4/c1-24-6-7-25-15-19-13(17)12-14(20-15)21(16(23)18-12)8-10-2-4-11(9-22)5-3-10/h2-5,9H,6-8H2,1H3,(H,18,23)(H2,17,19,20)