2-azanyl-9-(1-oxidanylpropoxymethyl)-7,8-dihydro-3H-purin-6-one phosphate

Systemtic Name: 2-azanyl-9-(1-oxidanylpropoxymethyl)-7,8-dihydro-3H-purin-6-one phosphate Openeye Name: 2-amino-9-(1-hydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one phosphate CAS Name: 2-amino-9-(1-hydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one phosphate IUPAC Name: 2-amino-9-(1-hydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one phosphate Traditional Name: 2-amino-9-(1-hydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one phosphate Formula: C9H15N5O7P-3 MolecularWeight: 336.218461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)OCN1CNC2=C1NC(=NC2=O)N.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC(O)OCN1CNC2=C1NC(=NC2=O)N.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C9H15N5O3.H3O4P/c1-2-5(15)17-4-14-3-11-6-7(14)12-9(10)13-8(6)16;1-5(2,3)4/h5,11,15H,2-4H2,1H3,(H3,10,12,13,16);(H3,1,2,3,4)/p-3