2-[6-diethoxyphosphinothioyloxy-2-(diethylamino)pyrimidin-4-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[6-diethoxyphosphinothioyloxy-2-(diethylamino)pyrimidin-4-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[6-diethoxyphosphinothioyloxy-2-(diethylamino)pyrimidin-4-yl]acetamide CAS Name: 2-[6-diethoxyphosphinothioyloxy-2-(diethylamino)-4-pyrimidinyl]-N-prop-2-enylacetamide IUPAC Name: 2-[6-diethoxyphosphinothioyloxy-2-(diethylamino)pyrimidin-4-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[6-diethoxythiophosphoryloxy-2-(diethylamino)pyrimidin-4-yl]acetamide Formula: C17H29N4O4PS MolecularWeight: 416.475321

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)CC(=O)NCC=C

Isomeric SMILES

CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)CC(=O)NCC=C

InChI

InChI=1S/C17H29N4O4PS/c1-6-11-18-15(22)12-14-13-16(20-17(19-14)21(7-2)8-3)25-26(27,23-9-4)24-10-5/h6,13H,1,7-12H2,2-5H3,(H,18,22)