N-[1-[2-diethoxyphosphinothioyloxy-3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-2-oxidanylidene-pyrimidin-4-yl]benzamide

Systemtic Name: N-[1-[2-diethoxyphosphinothioyloxy-3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-2-oxidanylidene-pyrimidin-4-yl]benzamide Openeye Name: N-[1-[3-benzyloxy-2-(benzyloxymethyl)-2-diethoxyphosphinothioyloxy-propyl]-2-oxo-pyrimidin-4-yl]benzamide CAS Name: N-[1-[2-diethoxyphosphinothioyloxy-3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-2-oxo-4-pyrimidinyl]benzamide IUPAC Name: N-[1-[2-diethoxyphosphinothioyloxy-3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-2-oxopyrimidin-4-yl]benzamide Traditional Name: N-[1-[3-benzoxy-2-(benzoxymethyl)-2-diethoxythiophosphoryloxy-propyl]-2-keto-pyrimidin-4-yl]benzamide Formula: C33H38N3O7PS MolecularWeight: 651.709481

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC(CN1C=CC(=NC1=O)NC(=O)C2=CC=CC=C2)(COCC3=CC=CC=C3)COCC4=CC=CC=C4

Isomeric SMILES

CCOP(=S)(OCC)OC(CN1C=CC(=NC1=O)NC(=O)C2=CC=CC=C2)(COCC3=CC=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C33H38N3O7PS/c1-3-41-44(45,42-4-2)43-33(25-39-22-27-14-8-5-9-15-27,26-40-23-28-16-10-6-11-17-28)24-36-21-20-30(35-32(36)38)34-31(37)29-18-12-7-13-19-29/h5-21H,3-4,22-26H2,1-2H3,(H,34,35,37,38)