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

Systemtic Name: [(Z,2R)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-2-oxidanyl-3-sulfanyl-pent-3-enyl] phosphono hydrogen phosphate Openeye Name: [(Z,2R)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-2-hydroxy-3-sulfanyl-pent-3-enyl] phosphono hydrogen phosphate CAS Name: [(Z,2R)-4-[(4-amino-2-methyl-5-pyrimidinyl)methylamino]-2-hydroxy-3-mercaptopent-3-enyl] phosphono hydrogen phosphate IUPAC Name: [(Z,2R)-4-[(4-amino-2-methylpyrimidin-5-yl)methylamino]-2-hydroxy-3-sulfanylpent-3-enyl] phosphono hydrogen phosphate Traditional Name: [(Z,2R)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-2-hydroxy-3-mercapto-pent-3-enyl] phosphono hydrogen phosphate Formula: C11H20N4O8P2S MolecularWeight: 430.311022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N4O8P2S/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/h4,9,13,16,26H,3,5H2,1-2H3,(H,20,21)(H2,12,14,15)(H2,17,18,19)/b10-6-/t9-/m1/s1