3,7-dimethyl-8-[(E)-2-phenylethenyl]-1-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-[(E)-2-phenylethenyl]-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-1-prop-2-ynyl-8-[(E)-styryl]purine-2,6-dione CAS Name: 3,7-dimethyl-8-[(E)-2-phenylethenyl]-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 3,7-dimethyl-8-[(E)-2-phenylethenyl]-1-prop-2-ynylpurine-2,6-dione Traditional Name: 3,7-dimethyl-1-propargyl-8-[(E)-styryl]xanthine Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC#C)C=CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC#C)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h1,5-11H,12H2,2-3H3/b11-10+