[(2R)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-2-oxidanyl-3-sulfanyl-pentyl] phosphono hydrogen phosphate

Systemtic Name: [(2R)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-2-oxidanyl-3-sulfanyl-pentyl] phosphono hydrogen phosphate Openeye Name: [(2R)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-2-hydroxy-3-sulfanyl-pentyl] phosphono hydrogen phosphate CAS Name: [(2R)-4-[(4-amino-2-methyl-5-pyrimidinyl)methylamino]-2-hydroxy-3-mercaptopentyl] phosphono hydrogen phosphate IUPAC Name: [(2R)-4-[(4-amino-2-methylpyrimidin-5-yl)methylamino]-2-hydroxy-3-sulfanylpentyl] phosphono hydrogen phosphate Traditional Name: [(2R)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-2-hydroxy-3-mercapto-pentyl] phosphono hydrogen phosphate Formula: C11H22N4O8P2S MolecularWeight: 432.326902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CNC(C)C(C(COP(=O)(O)OP(=O)(O)O)O)S

Isomeric SMILES

CC1=NC=C(C(=N1)N)CNC(C)C([C@@H](COP(=O)(O)OP(=O)(O)O)O)S

InChI

InChI=1S/C11H22N4O8P2S/c1-6(13-3-8-4-14-7(2)15-11(8)12)10(26)9(16)5-22-25(20,21)23-24(17,18)19/h4,6,9-10,13,16,26H,3,5H2,1-2H3,(H,20,21)(H2,12,14,15)(H2,17,18,19)/t6?,9-,10?/m1/s1