2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one carbonochloridate

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one carbonochloridate Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one carbonochloridate CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one carbonochloridate IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one carbonochloridate Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one chlorocarbonate Formula: C9H11ClN5O5- MolecularWeight: 304.66714

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCO)NC(=NC2=O)N.C(=O)([O-])Cl

Isomeric SMILES

C1=NC2=C(N1COCCO)NC(=NC2=O)N.C(=O)([O-])Cl

InChI

InChI=1S/C8H11N5O3.CHClO2/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;2-1(3)4/h3,14H,1-2,4H2,(H3,9,11,12,15);(H,3,4)/p-1