[5-(6-benzamidopurin-9-yl)-4-methoxy-3-methyl-oxolan-2-yl]methoxysulfanylphosphanylboron

Systemtic Name: [5-(6-benzamidopurin-9-yl)-4-methoxy-3-methyl-oxolan-2-yl]methoxysulfanylphosphanylboron Openeye Name: [5-(6-benzamidopurin-9-yl)-4-methoxy-3-methyl-tetrahydrofuran-2-yl]methoxysulfanylphosphanylboron CAS Name: [[5-(6-benzamido-9-purinyl)-4-methoxy-3-methyl-2-oxolanyl]methoxythio]phosphinoboron IUPAC Name: [5-(6-benzamidopurin-9-yl)-4-methoxy-3-methyloxolan-2-yl]methoxysulfanylphosphanylboron Traditional Name: [[5-(6-benzamidopurin-9-yl)-4-methoxy-3-methyl-tetrahydrofuran-2-yl]methoxythio]phosphinoboron Formula: C19H21BN5O4PS MolecularWeight: 457.250901

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Descriptors Computed from Structure

Canonical SMILES:

[B]PSOCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC)C

Isomeric SMILES

[B]PSOCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC)C

InChI

InChI=1S/C19H21BN5O4PS/c1-11-13(8-28-31-30-20)29-19(15(11)27-2)25-10-23-14-16(21-9-22-17(14)25)24-18(26)12-6-4-3-5-7-12/h3-7,9-11,13,15,19,30H,8H2,1-2H3,(H,21,22,24,26)