2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 1-[(2R,4S,5R)-5-ethynyl-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 1-[(2R,4S,5R)-5-ethynyl-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 1-[(2R,4S,5R)-5-ethynyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C19H23N7O7 MolecularWeight: 461.42862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)C#C)O.C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C#C)O.C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C11H12N2O4.C8H11N5O3/c1-3-8-7(14)4-9(17-8)13-5-6(2)10(15)12-11(13)16;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h1,5,7-9,14H,4H2,2H3,(H,12,15,16);3,14H,1-2,4H2,(H3,9,11,12,15)/t7-,8+,9+;/m0./s1