1,3,7-trimethyl-8-[(E)-2-(2-nitrophenyl)ethenyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(E)-2-(2-nitrophenyl)ethenyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(E)-2-(2-nitrophenyl)vinyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(E)-2-(2-nitrophenyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(E)-2-(2-nitrophenyl)ethenyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(E)-2-(2-nitrophenyl)vinyl]xanthine Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4/c1-18-12(9-8-10-6-4-5-7-11(10)21(24)25)17-14-13(18)15(22)20(3)16(23)19(14)2/h4-9H,1-3H3/b9-8+