6-chloranyl-9-[(Z)-4-diethoxyphosphorylbut-3-enyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[(Z)-4-diethoxyphosphorylbut-3-enyl]purin-2-amine Openeye Name: 6-chloro-9-[(Z)-4-diethoxyphosphorylbut-3-enyl]purin-2-amine CAS Name: 6-chloro-9-[(Z)-4-diethoxyphosphorylbut-3-enyl]-2-purinamine IUPAC Name: 6-chloro-9-[(Z)-4-diethoxyphosphorylbut-3-enyl]purin-2-amine Traditional Name: [6-chloro-9-[(Z)-4-diethoxyphosphorylbut-3-enyl]purin-2-yl]amine Formula: C13H19ClN5O3P MolecularWeight: 359.748421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CCCN1C=NC2=C1N=C(N=C2Cl)N)OCC

Isomeric SMILES

CCOP(=O)(/C=C\CCN1C=NC2=C1N=C(N=C2Cl)N)OCC

InChI

InChI=1S/C13H19ClN5O3P/c1-3-21-23(20,22-4-2)8-6-5-7-19-9-16-10-11(14)17-13(15)18-12(10)19/h6,8-9H,3-5,7H2,1-2H3,(H2,15,17,18)/b8-6-