[(E)-4-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)-2-oxidanyl-but-3-enyl] dihydrogen phosphate

Systemtic Name: [(E)-4-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)-2-oxidanyl-but-3-enyl] dihydrogen phosphate Openeye Name: [(E)-4-(2-amino-4-oxo-1H-pteridin-6-yl)-2-hydroxy-but-3-enyl] dihydrogen phosphate CAS Name: [(E)-4-(2-amino-4-oxo-1H-pteridin-6-yl)-2-hydroxybut-3-enyl] dihydrogen phosphate IUPAC Name: [(E)-4-(2-amino-4-oxo-1H-pteridin-6-yl)-2-hydroxybut-3-enyl] dihydrogen phosphate Traditional Name: [(E)-4-(2-amino-4-keto-1H-pteridin-6-yl)-2-hydroxy-but-3-enyl] dihydrogen phosphate Formula: C10H12N5O6P MolecularWeight: 329.205941

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C2C(=N1)NC(=NC2=O)N)C=CC(COP(=O)(O)O)O

Isomeric SMILES

C1=C(N=C2C(=N1)NC(=NC2=O)N)/C=C/C(COP(=O)(O)O)O

InChI

InChI=1S/C10H12N5O6P/c11-10-14-8-7(9(17)15-10)13-5(3-12-8)1-2-6(16)4-21-22(18,19)20/h1-3,6,16H,4H2,(H2,18,19,20)(H3,11,12,14,15,17)/b2-1+