9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(naphthalen-1-ylmethylamino)purine-2-carbonitrile

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(naphthalen-1-ylmethylamino)purine-2-carbonitrile Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(1-naphthylmethylamino)purine-2-carbonitrile CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(1-naphthalenylmethylamino)-2-purinecarbonitrile IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(naphthalen-1-ylmethylamino)purine-2-carbonitrile Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-(1-naphthylmethylamino)purine-2-carbonitrile Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)C#N

InChI

InChI=1S/C22H20N6O4/c23-8-16-26-20(24-9-13-6-3-5-12-4-1-2-7-14(12)13)17-21(27-16)28(11-25-17)22-19(31)18(30)15(10-29)32-22/h1-7,11,15,18-19,22,29-31H,9-10H2,(H,24,26,27)