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

Systemtic Name: methyl (E)-3-azanyl-2-cyano-3-[9-(4-fluorophenyl)purin-6-yl]prop-2-enoate Openeye Name: methyl (E)-3-amino-2-cyano-3-[9-(4-fluorophenyl)purin-6-yl]prop-2-enoate CAS Name: (E)-3-amino-2-cyano-3-[9-(4-fluorophenyl)-6-purinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-amino-2-cyano-3-[9-(4-fluorophenyl)purin-6-yl]prop-2-enoate Traditional Name: (E)-3-amino-2-cyano-3-[9-(4-fluorophenyl)purin-6-yl]acrylic acid methyl ester Formula: C16H11FN6O2 MolecularWeight: 338.295943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C1=C2C(=NC=N1)N(C=N2)C3=CC=C(C=C3)F)N)C#N

Isomeric SMILES

COC(=O)/C(=C(\C1=C2C(=NC=N1)N(C=N2)C3=CC=C(C=C3)F)/N)/C#N

InChI

InChI=1S/C16H11FN6O2/c1-25-16(24)11(6-18)12(19)13-14-15(21-7-20-13)23(8-22-14)10-4-2-9(17)3-5-10/h2-5,7-8H,19H2,1H3/b12-11+