N-[4-chloranyl-6-[1-(diethoxyphosphorylmethylsulfanyl)ethoxyamino]-2-formamido-pyrimidin-5-yl]methanamide

Systemtic Name: N-[4-chloranyl-6-[1-(diethoxyphosphorylmethylsulfanyl)ethoxyamino]-2-formamido-pyrimidin-5-yl]methanamide Openeye Name: N-[4-chloro-6-[1-(diethoxyphosphorylmethylsulfanyl)ethoxyamino]-2-formamido-pyrimidin-5-yl]formamide CAS Name: N-[4-chloro-6-[1-(diethoxyphosphorylmethylthio)ethoxyamino]-2-formamido-5-pyrimidinyl]formamide IUPAC Name: N-[4-chloro-6-[1-(diethoxyphosphorylmethylsulfanyl)ethoxyamino]-2-formamidopyrimidin-5-yl]formamide Traditional Name: N-[4-chloro-6-[1-(diethoxyphosphorylmethylthio)ethoxyamino]-2-formamido-pyrimidin-5-yl]formamide Formula: C13H21ClN5O6PS MolecularWeight: 441.827501

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSC(C)ONC1=C(C(=NC(=N1)NC=O)Cl)NC=O)OCC

Isomeric SMILES

CCOP(=O)(CSC(C)ONC1=C(C(=NC(=N1)NC=O)Cl)NC=O)OCC

InChI

InChI=1S/C13H21ClN5O6PS/c1-4-23-26(22,24-5-2)8-27-9(3)25-19-12-10(15-6-20)11(14)17-13(18-12)16-7-21/h6-7,9H,4-5,8H2,1-3H3,(H,15,20)(H2,16,17,18,19,21)