5-ethynyl-1-[(1S,3S,4R)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidine-2,4-dione

Systemtic Name: 5-ethynyl-1-[(1S,3S,4R)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidine-2,4-dione Openeye Name: 5-ethynyl-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione CAS Name: 5-ethynyl-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione IUPAC Name: 5-ethynyl-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione Traditional Name: 5-ethynyl-1-[(1S,3R,4S)-3-hydroxy-4-methylol-cyclopentyl]pyrimidine-2,4-quinone Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CN(C(=O)NC1=O)C2CC(C(C2)O)CO

Isomeric SMILES

C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@@H](C2)O)CO

InChI

InChI=1S/C12H14N2O4/c1-2-7-5-14(12(18)13-11(7)17)9-3-8(6-15)10(16)4-9/h1,5,8-10,15-16H,3-4,6H2,(H,13,17,18)/t8-,9-,10+/m0/s1