(E)-3-(6-aminopurin-9-yl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(6-aminopurin-9-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(6-aminopurin-9-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-(6-aminopurin-9-yl)-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(6-aminopurin-9-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-adenin-9-yl-1-phenyl-prop-2-en-1-one Formula: C14H11N5O MolecularWeight: 265.27004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O/c15-13-12-14(17-8-16-13)19(9-18-12)7-6-11(20)10-4-2-1-3-5-10/h1-9H,(H2,15,16,17)/b7-6+