(2R,3S,5R)-5-[6-azanyl-8-[(2-chloranyl-4-methyl-phenyl)amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: (2R,3S,5R)-5-[6-azanyl-8-[(2-chloranyl-4-methyl-phenyl)amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol Openeye Name: (2R,3S,5R)-5-[6-amino-8-(2-chloro-4-methyl-anilino)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: (2R,3S,5R)-5-[6-amino-8-(2-chloro-4-methylanilino)-9-purinyl]-2-(hydroxymethyl)-3-oxolanol IUPAC Name: (2R,3S,5R)-5-[6-amino-8-(2-chloro-4-methylanilino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol Traditional Name: (2R,3S,5R)-5-[6-amino-8-(2-chloro-4-methyl-anilino)purin-9-yl]-2-methylol-tetrahydrofuran-3-ol Formula: C17H19ClN6O3 MolecularWeight: 390.82416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC3=C(N2C4CC(C(O4)CO)O)N=CN=C3N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC3=C(N2[C@H]4C[C@@H]([C@H](O4)CO)O)N=CN=C3N)Cl

InChI

InChI=1S/C17H19ClN6O3/c1-8-2-3-10(9(18)4-8)22-17-23-14-15(19)20-7-21-16(14)24(17)13-5-11(26)12(6-25)27-13/h2-4,7,11-13,25-26H,5-6H2,1H3,(H,22,23)(H2,19,20,21)/t11-,12+,13+/m0/s1