7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-[(E)-3-(5-nitro-2-furanyl)prop-2-enylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(N'E)-N'-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]hydrazino]xanthine Formula: C16H17N7O6 MolecularWeight: 403.34948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC=CC3=CC=C(O3)[N+](=O)[O-])CCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C=C/C3=CC=C(O3)[N+](=O)[O-])CCO

InChI

InChI=1S/C16H17N7O6/c1-20-13-12(14(25)21(2)16(20)26)22(8-9-24)15(18-13)19-17-7-3-4-10-5-6-11(29-10)23(27)28/h3-7,24H,8-9H2,1-2H3,(H,18,19)/b4-3+,17-7+