6-chloranyl-9-[[1-[(E)-2-diethoxyphosphorylethenyl]cyclopropyl]methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[[1-[(E)-2-diethoxyphosphorylethenyl]cyclopropyl]methyl]purin-2-amine Openeye Name: 6-chloro-9-[[1-[(E)-2-diethoxyphosphorylvinyl]cyclopropyl]methyl]purin-2-amine CAS Name: 6-chloro-9-[[1-[(E)-2-diethoxyphosphorylethenyl]cyclopropyl]methyl]-2-purinamine IUPAC Name: 6-chloro-9-[[1-[(E)-2-diethoxyphosphorylethenyl]cyclopropyl]methyl]purin-2-amine Traditional Name: [6-chloro-9-[[1-[(E)-2-diethoxyphosphorylvinyl]cyclopropyl]methyl]purin-2-yl]amine Formula: C15H21ClN5O3P MolecularWeight: 385.785701

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CC1(CC1)CN2C=NC3=C2N=C(N=C3Cl)N)OCC

Isomeric SMILES

CCOP(=O)(/C=C/C1(CC1)CN2C=NC3=C2N=C(N=C3Cl)N)OCC

InChI

InChI=1S/C15H21ClN5O3P/c1-3-23-25(22,24-4-2)8-7-15(5-6-15)9-21-10-18-11-12(16)19-14(17)20-13(11)21/h7-8,10H,3-6,9H2,1-2H3,(H2,17,19,20)/b8-7+