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

Systemtic Name: methyl [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] hydrogen phosphate Openeye Name: methyl [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] hydrogen phosphate CAS Name: methyl [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] hydrogen phosphate IUPAC Name: methyl [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] hydrogen phosphate Traditional Name: methyl [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] hydrogen phosphate Formula: C11H16N5O4P MolecularWeight: 313.249601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N5O4P/c1-8(5-20-21(17,18)19-2)3-4-12-10-9-11(14-6-13-9)16-7-15-10/h3,6-7H,4-5H2,1-2H3,(H,17,18)(H2,12,13,14,15,16)/b8-3+