1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(2-perylen-3-ylethynyl)pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(2-perylen-3-ylethynyl)pyrimidine-2,4-dione Openeye Name: 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(2-perylen-3-ylethynyl)pyrimidine-2,4-dione CAS Name: 1-[(2R,5S)-5-(hydroxymethyl)-2-oxolanyl]-5-[2-(3-perylenyl)ethynyl]pyrimidine-2,4-dione IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(2-perylen-3-ylethynyl)pyrimidine-2,4-dione Traditional Name: 1-[(2R,5S)-5-methyloltetrahydrofuran-2-yl]-5-(2-perylen-3-ylethynyl)pyrimidine-2,4-quinone Formula: C31H22N2O4 MolecularWeight: 486.51738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1CO)N2C=C(C(=O)NC2=O)C#CC3=C4C=CC=C5C4=C(C=C3)C6=CC=CC7=C6C5=CC=C7

Isomeric SMILES

C1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)C#CC3=C4C=CC=C5C4=C(C=C3)C6=CC=CC7=C6C5=CC=C7

InChI

InChI=1S/C31H22N2O4/c34-17-21-13-15-27(37-21)33-16-20(30(35)32-31(33)36)11-10-18-12-14-26-24-8-2-5-19-4-1-7-23(28(19)24)25-9-3-6-22(18)29(25)26/h1-9,12,14,16,21,27,34H,13,15,17H2,(H,32,35,36)/t21-,27+/m0/s1