methyl (E)-4-(6-aminopurin-9-yl)but-2-enoate

Systemtic Name: methyl (E)-4-(6-aminopurin-9-yl)but-2-enoate Openeye Name: methyl (E)-4-(6-aminopurin-9-yl)but-2-enoate CAS Name: (E)-4-(6-aminopurin-9-yl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(6-aminopurin-9-yl)but-2-enoate Traditional Name: (E)-4-adenin-9-ylbut-2-enoic acid methyl ester Formula: C10H11N5O2 MolecularWeight: 233.22664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1C=NC2=C1N=CN=C2N

Isomeric SMILES

COC(=O)/C=C/CN1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C10H11N5O2/c1-17-7(16)3-2-4-15-6-14-8-9(11)12-5-13-10(8)15/h2-3,5-6H,4H2,1H3,(H2,11,12,13)/b3-2+