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

Systemtic Name: methyl (E)-3-azanyl-2-cyano-3-[9-(4-cyanophenyl)purin-6-yl]prop-2-enoate Openeye Name: methyl (E)-3-amino-2-cyano-3-[9-(4-cyanophenyl)purin-6-yl]prop-2-enoate CAS Name: (E)-3-amino-2-cyano-3-[9-(4-cyanophenyl)-6-purinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-amino-2-cyano-3-[9-(4-cyanophenyl)purin-6-yl]prop-2-enoate Traditional Name: (E)-3-amino-2-cyano-3-[9-(4-cyanophenyl)purin-6-yl]acrylic acid methyl ester Formula: C17H11N7O2 MolecularWeight: 345.31494

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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)C#N)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H11N7O2/c1-26-17(25)12(7-19)13(20)14-15-16(22-8-21-14)24(9-23-15)11-4-2-10(6-18)3-5-11/h2-5,8-9H,20H2,1H3/b13-12+