2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 1-azanylcyclopropane-1-carboxylate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 1-azanylcyclopropane-1-carboxylate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 1-aminocyclopropanecarboxylate CAS Name: 1-amino-1-cyclopropanecarboxylic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 1-aminocyclopropane-1-carboxylate Traditional Name: 1-aminocyclopropanecarboxylic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C12H16N6O4 MolecularWeight: 308.29324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N)N

Isomeric SMILES

C1CC1(C(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N)N

InChI

InChI=1S/C12H16N6O4/c13-11-16-8-7(9(19)17-11)15-5-18(8)6-21-3-4-22-10(20)12(14)1-2-12/h5H,1-4,6,14H2,(H3,13,16,17,19)