(3E)-2-[(2E)-1-(6-aminopurin-9-yl)-2-hydroxyimino-ethoxy]-3-hydroxyimino-propan-1-ol

Systemtic Name: (3E)-2-[(2E)-1-(6-aminopurin-9-yl)-2-hydroxyimino-ethoxy]-3-hydroxyimino-propan-1-ol Openeye Name: (1E)-2-[(2E)-1-(6-aminopurin-9-yl)-2-hydroxyimino-ethoxy]-3-hydroxy-propanal oxime CAS Name: (1E)-2-[(2E)-1-(6-aminopurin-9-yl)-2-hydroxyiminoethoxy]-3-hydroxypropanal oxime IUPAC Name: (3E)-2-[(2E)-1-(6-aminopurin-9-yl)-2-hydroxyiminoethoxy]-3-hydroxyiminopropan-1-ol Traditional Name: (1E)-2-[(2E)-1-adenin-9-yl-2-hydroximino-ethoxy]-3-hydroxy-propionaldoxime Formula: C10H13N7O4 MolecularWeight: 295.25472

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(C=NO)OC(CO)C=NO

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C(/C=N/O)OC(CO)/C=N/O

InChI

InChI=1S/C10H13N7O4/c11-9-8-10(13-4-12-9)17(5-14-8)7(2-16-20)21-6(3-18)1-15-19/h1-2,4-7,18-20H,3H2,(H2,11,12,13)/b15-1+,16-2+