(2R,5S)-2-[(1S)-2-diethoxyphosphoryl-1-pyridin-3-yl-ethyl]-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine

Systemtic Name: (2R,5S)-2-[(1S)-2-diethoxyphosphoryl-1-pyridin-3-yl-ethyl]-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine Openeye Name: (2R,5S)-2-[(1S)-2-diethoxyphosphoryl-1-(3-pyridyl)ethyl]-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazine CAS Name: (2R,5S)-2-[(1S)-2-diethoxyphosphoryl-1-(3-pyridinyl)ethyl]-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine IUPAC Name: (2R,5S)-2-[(1S)-2-diethoxyphosphoryl-1-pyridin-3-ylethyl]-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine Traditional Name: (2R,5S)-2-[(1S)-2-diethoxyphosphoryl-1-(3-pyridyl)ethyl]-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazine Formula: C22H36N3O5P MolecularWeight: 453.512101

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(C(=NC1C(C)C)OCC)C(CP(=O)(OCC)OCC)C2=CN=CC=C2

Isomeric SMILES

CCOC1=N[C@H](C(=N[C@@H]1[C@@H](CP(=O)(OCC)OCC)C2=CN=CC=C2)OCC)C(C)C

InChI

InChI=1S/C22H36N3O5P/c1-7-27-21-19(16(5)6)24-22(28-8-2)20(25-21)18(17-12-11-13-23-14-17)15-31(26,29-9-3)30-10-4/h11-14,16,18-20H,7-10,15H2,1-6H3/t18-,19-,20+/m0/s1