4-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)methyl]benzaldehyde

Systemtic Name: 4-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)methyl]benzaldehyde Openeye Name: 4-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]benzaldehyde CAS Name: 4-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]benzaldehyde IUPAC Name: 4-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]benzaldehyde Traditional Name: 4-[(2-amino-6-keto-3,7-dihydropurin-8-yl)methyl]benzaldehyde Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC3=C(N2)C(=O)N=C(N3)N)C=O

Isomeric SMILES

C1=CC(=CC=C1CC2=NC3=C(N2)C(=O)N=C(N3)N)C=O

InChI

InChI=1S/C13H11N5O2/c14-13-17-11-10(12(20)18-13)15-9(16-11)5-7-1-3-8(6-19)4-2-7/h1-4,6H,5H2,(H4,14,15,16,17,18,20)