2-(hydroxymethyl)-5-[6-methylsulfanyl-2-[(phenylmethyl)amino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-methylsulfanyl-2-[(phenylmethyl)amino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[2-(benzylamino)-6-methylsulfanyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(methylthio)-2-[(phenylmethyl)amino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[2-(benzylamino)-6-methylsulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-(benzylamino)-6-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)NCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)NCC4=CC=CC=C4

InChI

InChI=1S/C18H21N5O4S/c1-28-16-12-15(21-18(22-16)19-7-10-5-3-2-4-6-10)23(9-20-12)17-14(26)13(25)11(8-24)27-17/h2-6,9,11,13-14,17,24-26H,7-8H2,1H3,(H,19,21,22)