[3-[1-(6-chloranyl-2-formamido-purin-9-yl)oxypropoxy]-3-diethoxyphosphoryl-propyl] ethanoate

Systemtic Name: [3-[1-(6-chloranyl-2-formamido-purin-9-yl)oxypropoxy]-3-diethoxyphosphoryl-propyl] ethanoate Openeye Name: [3-[1-(6-chloro-2-formamido-purin-9-yl)oxypropoxy]-3-diethoxyphosphoryl-propyl] acetate CAS Name: acetic acid [3-[1-[(6-chloro-2-formamido-9-purinyl)oxy]propoxy]-3-diethoxyphosphorylpropyl] ester IUPAC Name: [3-[1-(6-chloro-2-formamidopurin-9-yl)oxypropoxy]-3-diethoxyphosphorylpropyl] acetate Traditional Name: acetic acid [3-[1-(6-chloro-2-formamido-purin-9-yl)oxypropoxy]-3-diethoxyphosphoryl-propyl] ester Formula: C18H27ClN5O8P MolecularWeight: 507.862441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(CCOC(=O)C)P(=O)(OCC)OCC)ON1C=NC2=C1N=C(N=C2Cl)NC=O

Isomeric SMILES

CCC(OC(CCOC(=O)C)P(=O)(OCC)OCC)ON1C=NC2=C1N=C(N=C2Cl)NC=O

InChI

InChI=1S/C18H27ClN5O8P/c1-5-13(31-14(8-9-28-12(4)26)33(27,29-6-2)30-7-3)32-24-10-20-15-16(19)22-18(21-11-25)23-17(15)24/h10-11,13-14H,5-9H2,1-4H3,(H,21,22,23,25)