methyl (E)-3-azanyl-2-cyano-3-[9-(4-methylphenyl)purin-6-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-azanyl-2-cyano-3-[9-(4-methylphenyl)purin-6-yl]prop-2-enoate Openeye Name: methyl (E)-3-amino-2-cyano-3-[9-(p-tolyl)purin-6-yl]prop-2-enoate CAS Name: (E)-3-amino-2-cyano-3-[9-(4-methylphenyl)-6-purinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-amino-2-cyano-3-[9-(4-methylphenyl)purin-6-yl]prop-2-enoate Traditional Name: (E)-3-amino-2-cyano-3-[9-(p-tolyl)purin-6-yl]acrylic acid methyl ester Formula: C17H14N6O2 MolecularWeight: 334.33206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)C(=C(C#N)C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)/C(=C(/C#N)\C(=O)OC)/N

InChI

InChI=1S/C17H14N6O2/c1-10-3-5-11(6-4-10)23-9-22-15-14(20-8-21-16(15)23)13(19)12(7-18)17(24)25-2/h3-6,8-9H,19H2,1-2H3/b13-12+