[(2R,3R,4R,5R)-5-[4-azanyl-5-(3-azanyl-3-oxidanylidene-prop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-5-[4-azanyl-5-(3-azanyl-3-oxidanylidene-prop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3R,4R,5R)-5-[4-amino-5-(3-amino-3-oxo-prop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3R,4R,5R)-5-[4-amino-5-(3-amino-3-oxoprop-1-ynyl)-7-pyrrolo[2,3-d]pyrimidinyl]-3,4-dihydroxy-4-methyl-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3R,4R,5R)-5-[4-amino-5-(3-amino-3-oxoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3R,4R,5R)-5-[4-amino-5-(3-amino-3-keto-prop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C15H18N5O8P MolecularWeight: 427.305881

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(OC1N2C=C(C3=C2N=CN=C3N)C#CC(=O)N)COP(=O)(O)O)O)O

Isomeric SMILES

C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C2N=CN=C3N)C#CC(=O)N)COP(=O)(O)O)O)O

InChI

InChI=1S/C15H18N5O8P/c1-15(23)11(22)8(5-27-29(24,25)26)28-14(15)20-4-7(2-3-9(16)21)10-12(17)18-6-19-13(10)20/h4,6,8,11,14,22-23H,5H2,1H3,(H2,16,21)(H2,17,18,19)(H2,24,25,26)/t8-,11-,14-,15-/m1/s1