[[5-[5-[3-[2-[[4-(aminomethyl)phenyl]carbonylamino]ethoxy]prop-1-ynyl]-4-azanyl-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[5-[5-[3-[2-[[4-(aminomethyl)phenyl]carbonylamino]ethoxy]prop-1-ynyl]-4-azanyl-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[5-[4-amino-5-[3-[2-[[4-(aminomethyl)benzoyl]amino]ethoxy]prop-1-ynyl]-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[5-[4-amino-5-[3-[2-[[[4-(aminomethyl)phenyl]-oxomethyl]amino]ethoxy]prop-1-ynyl]-2-oxo-1-pyrimidinyl]-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[5-[4-amino-5-[3-[2-[[4-(aminomethyl)benzoyl]amino]ethoxy]prop-1-ynyl]-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[5-[4-amino-5-[3-[2-[[4-(aminomethyl)benzoyl]amino]ethoxy]prop-1-ynyl]-2-keto-pyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C22H30N5O14P3 MolecularWeight: 681.419983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)C#CCOCCNC(=O)C3=CC=C(C=C3)CN

Isomeric SMILES

C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)C#CCOCCNC(=O)C3=CC=C(C=C3)CN

InChI

InChI=1S/C22H30N5O14P3/c23-12-15-3-5-16(6-4-15)21(28)25-9-11-37-10-1-2-17-13-27(22(29)26-20(17)24)19-8-7-18(39-19)14-38-43(33,34)41-44(35,36)40-42(30,31)32/h3-6,13,18-19H,7-12,14,23H2,(H,25,28)(H,33,34)(H,35,36)(H2,24,26,29)(H2,30,31,32)