methyl (2Z)-2-[(2-azanyl-6-methoxy-purin-9-yl)methylidene]cyclopropane-1-carboxylate

Systemtic Name: methyl (2Z)-2-[(2-azanyl-6-methoxy-purin-9-yl)methylidene]cyclopropane-1-carboxylate Openeye Name: methyl (2Z)-2-[(2-amino-6-methoxy-purin-9-yl)methylene]cyclopropanecarboxylate CAS Name: (2Z)-2-[(2-amino-6-methoxy-9-purinyl)methylidene]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropane-1-carboxylate Traditional Name: (2Z)-2-[(2-amino-6-methoxy-purin-9-yl)methylene]cyclopropanecarboxylic acid methyl ester Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1N=CN2C=C3CC3C(=O)OC)N

Isomeric SMILES

COC1=NC(=NC2=C1N=CN2/C=C\3/CC3C(=O)OC)N

InChI

InChI=1S/C12H13N5O3/c1-19-10-8-9(15-12(13)16-10)17(5-14-8)4-6-3-7(6)11(18)20-2/h4-5,7H,3H2,1-2H3,(H2,13,15,16)/b6-4-