N-[4-chloranyl-6-[[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propoxy]amino]pyrimidin-5-yl]methanamide

Systemtic Name: N-[4-chloranyl-6-[[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propoxy]amino]pyrimidin-5-yl]methanamide Openeye Name: N-[4-[[3-benzyloxy-2-(diethoxyphosphorylmethoxy)propoxy]amino]-6-chloro-pyrimidin-5-yl]formamide CAS Name: N-[4-chloro-6-[[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]amino]-5-pyrimidinyl]formamide IUPAC Name: N-[4-chloro-6-[[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]amino]pyrimidin-5-yl]formamide Traditional Name: N-[4-[[3-benzoxy-2-(diethoxyphosphorylmethoxy)propoxy]amino]-6-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=C(C(=NC=N2)Cl)NC=O)OCC

Isomeric SMILES

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

InChI

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