[(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] phosphono hydrogen phosphate

Systemtic Name: [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] phosphono hydrogen phosphate Openeye Name: [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] phosphono hydrogen phosphate CAS Name: [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] phosphono hydrogen phosphate IUPAC Name: [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] phosphono hydrogen phosphate Traditional Name: [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] phosphono hydrogen phosphate Formula: C10H15N5O7P2 MolecularWeight: 379.202922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1NC=N2)COP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1NC=N2)/COP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C10H15N5O7P2/c1-7(4-21-24(19,20)22-23(16,17)18)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6H,3-4H2,1H3,(H,19,20)(H2,16,17,18)(H2,11,12,13,14,15)/b7-2+