N-[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-thiophen-2-yl-purin-2-yl]-2-methyl-propanamide

Systemtic Name: N-[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-thiophen-2-yl-purin-2-yl]-2-methyl-propanamide Openeye Name: N-[9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(2-thienyl)purin-2-yl]-2-methyl-propanamide CAS Name: N-[9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-thiophen-2-yl-2-purinyl]-2-methylpropanamide IUPAC Name: N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-thiophen-2-ylpurin-2-yl]-2-methylpropanamide Traditional Name: N-[9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-6-(2-thienyl)purin-2-yl]-2-methyl-propionamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=C2C(=N1)N(C=N2)C3CC(C(O3)CO)O)C4=CC=CS4

Isomeric SMILES

CC(C)C(=O)NC1=NC(=C2C(=N1)N(C=N2)C3CC(C(O3)CO)O)C4=CC=CS4

InChI

InChI=1S/C18H21N5O4S/c1-9(2)17(26)22-18-20-14(12-4-3-5-28-12)15-16(21-18)23(8-19-15)13-6-10(25)11(7-24)27-13/h3-5,8-11,13,24-25H,6-7H2,1-2H3,(H,20,21,22,26)