methyl (E)-3-azanyl-2-cyano-3-(9-methylpurin-6-yl)prop-2-enoate

Systemtic Name: methyl (E)-3-azanyl-2-cyano-3-(9-methylpurin-6-yl)prop-2-enoate Openeye Name: methyl (E)-3-amino-2-cyano-3-(9-methylpurin-6-yl)prop-2-enoate CAS Name: (E)-3-amino-2-cyano-3-(9-methyl-6-purinyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-amino-2-cyano-3-(9-methylpurin-6-yl)prop-2-enoate Traditional Name: (E)-3-amino-2-cyano-3-(9-methylpurin-6-yl)acrylic acid methyl ester Formula: C11H10N6O2 MolecularWeight: 258.2361

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C(N=CN=C21)C(=C(C#N)C(=O)OC)N

Isomeric SMILES

CN1C=NC2=C(N=CN=C21)/C(=C(/C#N)\C(=O)OC)/N

InChI

InChI=1S/C11H10N6O2/c1-17-5-16-9-8(14-4-15-10(9)17)7(13)6(3-12)11(18)19-2/h4-5H,13H2,1-2H3/b7-6+