(1S,4R)-4-(6-chloranylpurin-9-yl)-N-diphenoxyphosphoryl-cyclopent-2-ene-1-carboxamide

Systemtic Name: (1S,4R)-4-(6-chloranylpurin-9-yl)-N-diphenoxyphosphoryl-cyclopent-2-ene-1-carboxamide Openeye Name: (1S,4R)-4-(6-chloropurin-9-yl)-N-diphenoxyphosphoryl-cyclopent-2-ene-1-carboxamide CAS Name: (1S,4R)-4-(6-chloro-9-purinyl)-N-diphenoxyphosphoryl-1-cyclopent-2-enecarboxamide IUPAC Name: (1S,4R)-4-(6-chloropurin-9-yl)-N-diphenoxyphosphorylcyclopent-2-ene-1-carboxamide Traditional Name: (1S,4R)-4-(6-chloropurin-9-yl)-N-diphenoxyphosphoryl-cyclopent-2-ene-1-carboxamide Formula: C23H19ClN5O4P MolecularWeight: 495.854821

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1N2C=NC3=C2N=CN=C3Cl)C(=O)NP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1[C@@H](C=C[C@@H]1N2C=NC3=C2N=CN=C3Cl)C(=O)NP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C23H19ClN5O4P/c24-21-20-22(26-14-25-21)29(15-27-20)17-12-11-16(13-17)23(30)28-34(31,32-18-7-3-1-4-8-18)33-19-9-5-2-6-10-19/h1-12,14-17H,13H2,(H,28,30,31)/t16-,17+/m1/s1