(E)-1-(6-aminopurin-9-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(6-aminopurin-9-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(6-aminopurin-9-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-(6-aminopurin-9-yl)-3-(2,5-dimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(6-aminopurin-9-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-adenin-9-yl-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C(=O)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C16H15N5O3/c1-23-11-4-5-12(24-2)10(7-11)3-6-13(22)21-9-20-14-15(17)18-8-19-16(14)21/h3-9H,1-2H3,(H2,17,18,19)/b6-3+