3-(aminocarbonylamino)-5-[2-chloranyl-6-(methylamino)purin-9-yl]-N-methyl-4-oxidanyl-oxolane-2-carboxamide

Systemtic Name: 3-(aminocarbonylamino)-5-[2-chloranyl-6-(methylamino)purin-9-yl]-N-methyl-4-oxidanyl-oxolane-2-carboxamide Openeye Name: 5-[2-chloro-6-(methylamino)purin-9-yl]-4-hydroxy-N-methyl-3-ureido-tetrahydrofuran-2-carboxamide CAS Name: 3-(carbamoylamino)-5-[2-chloro-6-(methylamino)-9-purinyl]-4-hydroxy-N-methyl-2-oxolanecarboxamide IUPAC Name: 3-(carbamoylamino)-5-[2-chloro-6-(methylamino)purin-9-yl]-4-hydroxy-N-methyloxolane-2-carboxamide Traditional Name: 5-[2-chloro-6-(methylamino)purin-9-yl]-4-hydroxy-N-methyl-3-ureido-tetrahydrofuran-2-carboxamide Formula: C13H17ClN8O4 MolecularWeight: 384.77828

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C(=O)NC)NC(=O)N)O)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C(=O)NC)NC(=O)N)O)Cl

InChI

InChI=1S/C13H17ClN8O4/c1-16-8-5-9(21-12(14)20-8)22(3-18-5)11-6(23)4(19-13(15)25)7(26-11)10(24)17-2/h3-4,6-7,11,23H,1-2H3,(H,17,24)(H3,15,19,25)(H,16,20,21)