(2S,5R)-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-N-methyl-oxolane-2-carboxamide

Systemtic Name: (2S,5R)-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-N-methyl-oxolane-2-carboxamide Openeye Name: (2S,5R)-5-[6-(benzylamino)-2-chloro-purin-9-yl]-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,5R)-5-[2-chloro-6-[(phenylmethyl)amino]-9-purinyl]-N-methyl-2-oxolanecarboxamide IUPAC Name: (2S,5R)-5-[6-(benzylamino)-2-chloropurin-9-yl]-N-methyloxolane-2-carboxamide Traditional Name: (2S,5R)-5-[6-(benzylamino)-2-chloro-purin-9-yl]-N-methyl-tetrahydrofuran-2-carboxamide Formula: C18H19ClN6O2 MolecularWeight: 386.83546

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCC(O1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)Cl

Isomeric SMILES

CNC(=O)[C@@H]1CC[C@@H](O1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C18H19ClN6O2/c1-20-17(26)12-7-8-13(27-12)25-10-22-14-15(23-18(19)24-16(14)25)21-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,20,26)(H,21,23,24)/t12-,13+/m0/s1