[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-4-methoxy-oxolan-2-yl]methoxysulfanylphosphanylboron

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-4-methoxy-oxolan-2-yl]methoxysulfanylphosphanylboron Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-4-methoxy-tetrahydrofuran-2-yl]methoxysulfanylphosphanylboron CAS Name: [[5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-4-methoxy-2-oxolanyl]methoxythio]phosphinoboron IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-4-methoxyoxolan-2-yl]methoxysulfanylphosphanylboron Traditional Name: [[5-(2-amino-6-keto-3H-purin-9-yl)-3-azido-4-methoxy-tetrahydrofuran-2-yl]methoxythio]phosphinoboron Formula: C11H14BN8O4PS MolecularWeight: 396.129821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B]PSOCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)OC)N=[N+]=[N-]

Isomeric SMILES

[B]PSOCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)OC)N=[N+]=[N-]

InChI

InChI=1S/C11H14BN8O4PS/c1-22-7-5(18-19-14)4(2-23-26-25-12)24-10(7)20-3-15-6-8(20)16-11(13)17-9(6)21/h3-5,7,10,25H,2H2,1H3,(H3,13,16,17,21)