9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(phenethylamino)purine-2-carbonitrile

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(phenethylamino)purine-2-carbonitrile Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(phenethylamino)purine-2-carbonitrile CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(phenethylamino)-2-purinecarbonitrile IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(phenethylamino)purine-2-carbonitrile Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-(phenethylamino)purine-2-carbonitrile Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C#N

InChI

InChI=1S/C19H20N6O4/c20-8-13-23-17(21-7-6-11-4-2-1-3-5-11)14-18(24-13)25(10-22-14)19-16(28)15(27)12(9-26)29-19/h1-5,10,12,15-16,19,26-28H,6-7,9H2,(H,21,23,24)