1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[3-(4-nitrophenoxy)prop-1-ynyl]pyrimidine-2,4-dione

Systemtic Name: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[3-(4-nitrophenoxy)prop-1-ynyl]pyrimidine-2,4-dione Openeye Name: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[3-(4-nitrophenoxy)prop-1-ynyl]pyrimidine-2,4-dione CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-[3-(4-nitrophenoxy)prop-1-ynyl]pyrimidine-2,4-dione IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(4-nitrophenoxy)prop-1-ynyl]pyrimidine-2,4-dione Traditional Name: 1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-5-[3-(4-nitrophenoxy)prop-1-ynyl]pyrimidine-2,4-quinone Formula: C18H17N3O8 MolecularWeight: 403.34288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=O)NC2=O)C#CCOC3=CC=C(C=C3)[N+](=O)[O-])CO)O

Isomeric SMILES

C1C(C(OC1N2C=C(C(=O)NC2=O)C#CCOC3=CC=C(C=C3)[N+](=O)[O-])CO)O

InChI

InChI=1S/C18H17N3O8/c22-10-15-14(23)8-16(29-15)20-9-11(17(24)19-18(20)25)2-1-7-28-13-5-3-12(4-6-13)21(26)27/h3-6,9,14-16,22-23H,7-8,10H2,(H,19,24,25)