2-azanyl-9-[(E)-4-di(propan-2-yloxy)phosphoryl-2-(hydroxymethyl)but-3-enoxy]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(E)-4-di(propan-2-yloxy)phosphoryl-2-(hydroxymethyl)but-3-enoxy]-3H-purin-6-one Openeye Name: 2-amino-9-[(E)-4-diisopropoxyphosphoryl-2-(hydroxymethyl)but-3-enoxy]-3H-purin-6-one CAS Name: 2-amino-9-[(E)-4-di(propan-2-yloxy)phosphoryl-2-(hydroxymethyl)but-3-enoxy]-3H-purin-6-one IUPAC Name: 2-amino-9-[(E)-4-di(propan-2-yloxy)phosphoryl-2-(hydroxymethyl)but-3-enoxy]-3H-purin-6-one Traditional Name: 2-amino-9-[(E)-4-diisopropoxyphosphoryl-2-methylol-but-3-enoxy]-3H-purin-6-one Formula: C16H26N5O6P MolecularWeight: 415.381301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C=CC(CO)CON1C=NC2=C1NC(=NC2=O)N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(/C=C/C(CO)CON1C=NC2=C1NC(=NC2=O)N)OC(C)C

InChI

InChI=1S/C16H26N5O6P/c1-10(2)26-28(24,27-11(3)4)6-5-12(7-22)8-25-21-9-18-13-14(21)19-16(17)20-15(13)23/h5-6,9-12,22H,7-8H2,1-4H3,(H3,17,19,20,23)/b6-5+