[(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]pent-3-enyl] phosphono hydrogen phosphate

Systemtic Name: [(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]pent-3-enyl] phosphono hydrogen phosphate Openeye Name: [(E)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]pent-3-enyl] phosphono hydrogen phosphate CAS Name: [(E)-4-[(4-amino-2-methyl-5-pyrimidinyl)methylamino]pent-3-enyl] phosphono hydrogen phosphate IUPAC Name: [(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methylamino]pent-3-enyl] phosphono hydrogen phosphate Traditional Name: [(E)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]pent-3-enyl] phosphono hydrogen phosphate Formula: C11H20N4O7P2 MolecularWeight: 382.246622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CNC(=CCCOP(=O)(O)OP(=O)(O)O)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN/C(=C/CCOP(=O)(O)OP(=O)(O)O)/C

InChI

InChI=1S/C11H20N4O7P2/c1-8(13-6-10-7-14-9(2)15-11(10)12)4-3-5-21-24(19,20)22-23(16,17)18/h4,7,13H,3,5-6H2,1-2H3,(H,19,20)(H2,12,14,15)(H2,16,17,18)/b8-4+