[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-azido-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-azanyl-3-phenyl-propanoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-azido-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-azanyl-3-phenyl-propanoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-2-azido-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-2-azido-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-dihydroxyoxolan-2-yl]methyl 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-2-azido-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H21N7O6 MolecularWeight: 431.40264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2(C(C(C(O2)N3C=CC(=NC3=O)N)O)O)N=[N+]=[N-])N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2(C(C(C(O2)N3C=CC(=NC3=O)N)O)O)N=[N+]=[N-])N

InChI

InChI=1S/C18H21N7O6/c19-11(8-10-4-2-1-3-5-10)16(28)30-9-18(23-24-21)14(27)13(26)15(31-18)25-7-6-12(20)22-17(25)29/h1-7,11,13-15,26-27H,8-9,19H2,(H2,20,22,29)