[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 2-[bis(azanyl)methylideneamino]ethanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 2-[bis(azanyl)methylideneamino]ethanoate Openeye Name: [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 2-guanidinoacetate CAS Name: 2-(diaminomethylideneamino)acetic acid [5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 2-(diaminomethylideneamino)acetate Traditional Name: 2-guanidinoacetic acid (5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C13H18N8O4 MolecularWeight: 350.33322

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)CN=C(N)N)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)CN=C(N)N)O

InChI

InChI=1S/C13H18N8O4/c14-11-10-12(19-4-18-11)21(5-20-10)8-1-6(22)7(25-8)3-24-9(23)2-17-13(15)16/h4-8,22H,1-3H2,(H2,14,18,19)(H4,15,16,17)