6-chloranyl-9-[(E)-4-di(propan-2-yloxy)phosphoryl-2-methylidene-but-3-enyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[(E)-4-di(propan-2-yloxy)phosphoryl-2-methylidene-but-3-enyl]purin-2-amine Openeye Name: 6-chloro-9-[(E)-4-diisopropoxyphosphoryl-2-methylene-but-3-enyl]purin-2-amine CAS Name: 6-chloro-9-[(E)-4-di(propan-2-yloxy)phosphoryl-2-methylenebut-3-enyl]-2-purinamine IUPAC Name: 6-chloro-9-[(E)-4-di(propan-2-yloxy)phosphoryl-2-methylidenebut-3-enyl]purin-2-amine Traditional Name: [6-chloro-9-[(E)-4-diisopropoxyphosphoryl-2-methylene-but-3-enyl]purin-2-yl]amine Formula: C16H23ClN5O3P MolecularWeight: 399.812281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C=CC(=C)CN1C=NC2=C1N=C(N=C2Cl)N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(/C=C/C(=C)CN1C=NC2=C1N=C(N=C2Cl)N)OC(C)C

InChI

InChI=1S/C16H23ClN5O3P/c1-10(2)24-26(23,25-11(3)4)7-6-12(5)8-22-9-19-13-14(17)20-16(18)21-15(13)22/h6-7,9-11H,5,8H2,1-4H3,(H2,18,20,21)/b7-6+