[5-(4-azanyl-5-ethyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-2-(phosphonooxymethyl)thiolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(4-azanyl-5-ethyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-2-(phosphonooxymethyl)thiolan-3-yl] dihydrogen phosphate Openeye Name: [5-(4-amino-5-ethyl-2-oxo-pyrimidin-1-yl)-4-methoxy-2-(phosphonooxymethyl)tetrahydrothiophen-3-yl] dihydrogen phosphate CAS Name: [5-(4-amino-5-ethyl-2-oxo-1-pyrimidinyl)-4-methoxy-2-(phosphonooxymethyl)-3-thiolanyl] dihydrogen phosphate IUPAC Name: [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-methoxy-2-(phosphonooxymethyl)thiolan-3-yl] dihydrogen phosphate Traditional Name: [5-(4-amino-5-ethyl-2-keto-pyrimidin-1-yl)-4-methoxy-2-(phosphonooxymethyl)tetrahydrothiophen-3-yl] dihydrogen phosphate Formula: C12H21N3O10P2S MolecularWeight: 461.321762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=O)N=C1N)C2C(C(C(S2)COP(=O)(O)O)OP(=O)(O)O)OC

Isomeric SMILES

CCC1=CN(C(=O)N=C1N)C2C(C(C(S2)COP(=O)(O)O)OP(=O)(O)O)OC

InChI

InChI=1S/C12H21N3O10P2S/c1-3-6-4-15(12(16)14-10(6)13)11-9(23-2)8(25-27(20,21)22)7(28-11)5-24-26(17,18)19/h4,7-9,11H,3,5H2,1-2H3,(H2,13,14,16)(H2,17,18,19)(H2,20,21,22)