2-(6-aminopurin-9-yl)-4-(hydroxymethyl)pentanedial

Systemtic Name: 2-(6-aminopurin-9-yl)-4-(hydroxymethyl)pentanedial Openeye Name: 2-(6-aminopurin-9-yl)-4-(hydroxymethyl)pentanedial CAS Name: 2-(6-aminopurin-9-yl)-4-(hydroxymethyl)pentanedial IUPAC Name: 2-(6-aminopurin-9-yl)-4-(hydroxymethyl)pentanedial Traditional Name: 2-adenin-9-yl-4-methylol-glutaraldehyde Formula: C11H13N5O3 MolecularWeight: 263.25262

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(CC(CO)C=O)C=O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C(CC(CO)C=O)C=O

InChI

InChI=1S/C11H13N5O3/c12-10-9-11(14-5-13-10)16(6-15-9)8(4-19)1-7(2-17)3-18/h2,4-8,18H,1,3H2,(H2,12,13,14)