N-[4-chloranyl-2-[[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propoxy]amino]pyrimidin-5-yl]methanamide

Systemtic Name: N-[4-chloranyl-2-[[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propoxy]amino]pyrimidin-5-yl]methanamide Openeye Name: N-[2-[[3-benzyloxy-2-(diethoxyphosphorylmethoxy)propoxy]amino]-4-chloro-pyrimidin-5-yl]formamide CAS Name: N-[4-chloro-2-[[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]amino]-5-pyrimidinyl]formamide IUPAC Name: N-[4-chloro-2-[[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]amino]pyrimidin-5-yl]formamide Traditional Name: N-[2-[[3-benzoxy-2-(diethoxyphosphorylmethoxy)propoxy]amino]-4-chloro-pyrimidin-5-yl]formamide Formula: C20H28ClN4O7P MolecularWeight: 502.885681

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(COCC1=CC=CC=C1)CONC2=NC=C(C(=N2)Cl)NC=O)OCC

Isomeric SMILES

CCOP(=O)(COC(COCC1=CC=CC=C1)CONC2=NC=C(C(=N2)Cl)NC=O)OCC

InChI

InChI=1S/C20H28ClN4O7P/c1-3-31-33(27,32-4-2)15-29-17(12-28-11-16-8-6-5-7-9-16)13-30-25-20-22-10-18(23-14-26)19(21)24-20/h5-10,14,17H,3-4,11-13,15H2,1-2H3,(H,23,26)(H,22,24,25)