2-(hydroxymethyl)-4-[6-(methylamino)purin-9-yl]pentanedial

Systemtic Name: 2-(hydroxymethyl)-4-[6-(methylamino)purin-9-yl]pentanedial Openeye Name: 2-(hydroxymethyl)-4-[6-(methylamino)purin-9-yl]pentanedial CAS Name: 2-(hydroxymethyl)-4-[6-(methylamino)-9-purinyl]pentanedial IUPAC Name: 2-(hydroxymethyl)-4-[6-(methylamino)purin-9-yl]pentanedial Traditional Name: 2-[6-(methylamino)purin-9-yl]-4-methylol-glutaraldehyde Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2C(CC(CO)C=O)C=O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2C(CC(CO)C=O)C=O

InChI

InChI=1S/C12H15N5O3/c1-13-11-10-12(15-6-14-11)17(7-16-10)9(5-20)2-8(3-18)4-19/h3,5-9,19H,2,4H2,1H3,(H,13,14,15)