4-tert-butyl-N-[9-[2-diethoxyphosphinothioyloxy-3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]purin-6-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[9-[2-diethoxyphosphinothioyloxy-3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]purin-6-yl]benzamide Openeye Name: N-[9-[3-benzyloxy-2-(benzyloxymethyl)-2-diethoxyphosphinothioyloxy-propyl]purin-6-yl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[9-[2-diethoxyphosphinothioyloxy-3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-6-purinyl]benzamide IUPAC Name: 4-tert-butyl-N-[9-[2-diethoxyphosphinothioyloxy-3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]purin-6-yl]benzamide Traditional Name: N-[9-[3-benzoxy-2-(benzoxymethyl)-2-diethoxythiophosphoryloxy-propyl]purin-6-yl]-4-tert-butyl-benzamide Formula: C38H46N5O6PS MolecularWeight: 731.840501

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC(CN1C=NC2=C1N=CN=C2NC(=O)C3=CC=C(C=C3)C(C)(C)C)(COCC4=CC=CC=C4)COCC5=CC=CC=C5

Isomeric SMILES

CCOP(=S)(OCC)OC(CN1C=NC2=C1N=CN=C2NC(=O)C3=CC=C(C=C3)C(C)(C)C)(COCC4=CC=CC=C4)COCC5=CC=CC=C5

InChI

InChI=1S/C38H46N5O6PS/c1-6-47-50(51,48-7-2)49-38(25-45-22-29-14-10-8-11-15-29,26-46-23-30-16-12-9-13-17-30)24-43-28-41-33-34(39-27-40-35(33)43)42-36(44)31-18-20-32(21-19-31)37(3,4)5/h8-21,27-28H,6-7,22-26H2,1-5H3,(H,39,40,42,44)