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

Systemtic Name: 7-methyl-8-[(E)-2-(2-nitrophenyl)ethenyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-methyl-8-[(E)-2-(2-nitrophenyl)vinyl]purine-2,6-dione CAS Name: 7-methyl-8-[(E)-2-(2-nitrophenyl)ethenyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-methyl-8-[(E)-2-(2-nitrophenyl)ethenyl]purine-2,6-dione Traditional Name: 3-benzyl-7-methyl-8-[(E)-2-(2-nitrophenyl)vinyl]xanthine Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)C=CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)/C=C/C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4/c1-24-17(12-11-15-9-5-6-10-16(15)26(29)30)22-19-18(24)20(27)23-21(28)25(19)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,23,27,28)/b12-11+