[6-azanylidene-1-(3-methoxypropyl)purin-1-ium-2-yl]-(propan-2-yloxycarbonyloxymethoxy)phosphinous acid

Systemtic Name: [6-azanylidene-1-(3-methoxypropyl)purin-1-ium-2-yl]-(propan-2-yloxycarbonyloxymethoxy)phosphinous acid Openeye Name: [6-imino-1-(3-methoxypropyl)purin-1-ium-2-yl]-(isopropoxycarbonyloxymethoxy)phosphinous acid CAS Name: [6-imino-1-(3-methoxypropyl)-2-purin-1-iumyl]-[[oxo(propan-2-yloxy)methoxy]methoxy]phosphinous acid IUPAC Name: [6-imino-1-(3-methoxypropyl)purin-1-ium-2-yl]-(propan-2-yloxycarbonyloxymethoxy)phosphinous acid Traditional Name: [6-imino-1-(3-methoxypropyl)purin-1-ium-2-yl]-(isopropoxycarbonyloxymethoxy)phosphinous acid Formula: C14H21N5O6P+ MolecularWeight: 386.320201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)OCOP(C1=[N+](C(=N)C2=NC=NC2=N1)CCCOC)O

Isomeric SMILES

CC(C)OC(=O)OCOP(C1=[N+](C(=N)C2=NC=NC2=N1)CCCOC)O

InChI

InChI=1S/C14H21N5O6P/c1-9(2)25-14(20)23-8-24-26(21)13-18-12-10(16-7-17-12)11(15)19(13)5-4-6-22-3/h7,9,15,21H,4-6,8H2,1-3H3/q+1