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

Systemtic Name: N-[4-[2-(diethoxyphosphorylmethylsulfanyl)ethoxyamino]-2-formamido-pyrimidin-5-yl]methanamide Openeye Name: N-[4-[2-(diethoxyphosphorylmethylsulfanyl)ethoxyamino]-2-formamido-pyrimidin-5-yl]formamide CAS Name: N-[4-[2-(diethoxyphosphorylmethylthio)ethoxyamino]-2-formamido-5-pyrimidinyl]formamide IUPAC Name: N-[4-[2-(diethoxyphosphorylmethylsulfanyl)ethoxyamino]-2-formamidopyrimidin-5-yl]formamide Traditional Name: N-[4-[2-(diethoxyphosphorylmethylthio)ethoxyamino]-2-formamido-pyrimidin-5-yl]formamide Formula: C13H22N5O6PS MolecularWeight: 407.382441

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSCCONC1=NC(=NC=C1NC=O)NC=O)OCC

Isomeric SMILES

CCOP(=O)(CSCCONC1=NC(=NC=C1NC=O)NC=O)OCC

InChI

InChI=1S/C13H22N5O6PS/c1-3-23-25(21,24-4-2)10-26-6-5-22-18-12-11(15-8-19)7-14-13(17-12)16-9-20/h7-9H,3-6,10H2,1-2H3,(H,15,19)(H2,14,16,17,18,20)