2-(2-azanylethylamino)ethyl 2-cyanoethyl [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl phosphate

Systemtic Name: 2-(2-azanylethylamino)ethyl 2-cyanoethyl [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl phosphate Openeye Name: 2-(2-aminoethylamino)ethyl 2-cyanoethyl [3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphate CAS Name: phosphoric acid 2-(2-aminoethylamino)ethyl 2-cyanoethyl [3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: 2-(2-aminoethylamino)ethyl 2-cyanoethyl [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate Traditional Name: phosphoric acid 2-(2-aminoethylamino)ethyl 2-cyanoethyl [5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H28N5O8P MolecularWeight: 461.406681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCC#N)OCCNCCN)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCC#N)OCCNCCN)O

InChI

InChI=1S/C17H28N5O8P/c1-12-10-22(17(25)21-16(12)24)15-9-13(23)14(30-15)11-29-31(26,27-7-2-3-18)28-8-6-20-5-4-19/h10,13-15,20,23H,2,4-9,11,19H2,1H3,(H,21,24,25)