[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H16N6O4 MolecularWeight: 392.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C(=CC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)/C(=C/C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C19H16N6O4/c1-11(18(26)25-17-15-16(22-9-21-15)23-10-24-17)29-19(27)13(8-20)7-12-3-5-14(28-2)6-4-12/h3-7,9-11H,1-2H3,(H2,21,22,23,24,25,26)/b13-7+