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

Systemtic Name: 1,3-diethyl-7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]purine-2,6-dione Openeye Name: 1,3-diethyl-7-methyl-8-[(E)-2-(3-nitrophenyl)vinyl]purine-2,6-dione CAS Name: 1,3-diethyl-7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3-diethyl-7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]purine-2,6-dione Traditional Name: 1,3-diethyl-7-methyl-8-[(E)-2-(3-nitrophenyl)vinyl]xanthine Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H19N5O4/c1-4-21-16-15(17(24)22(5-2)18(21)25)20(3)14(19-16)10-9-12-7-6-8-13(11-12)23(26)27/h6-11H,4-5H2,1-3H3/b10-9+