8-(2-azanylethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione

Systemtic Name: 8-(2-azanylethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-7-[(E)-cinnamyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-7-[(E)-cinnamyl]-1,3-dimethyl-xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H22N6O2/c1-22-15-14(16(25)23(2)18(22)26)24(17(21-15)20-11-10-19)12-6-9-13-7-4-3-5-8-13/h3-9H,10-12,19H2,1-2H3,(H,20,21)/b9-6+