4-[3-[[9-[5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]purin-6-yl]amino]pyrrolidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[3-[[9-[5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]purin-6-yl]amino]pyrrolidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[3-[[9-[3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]pyrrolidine-1-carbonyl]benzonitrile CAS Name: 4-[[3-[[9-[3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]-1-pyrrolidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-[[9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]pyrrolidine-1-carbonyl]benzonitrile Traditional Name: 4-[3-[[9-(3-hydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]amino]pyrrolidine-1-carbonyl]benzonitrile Formula: C22H23N7O4 MolecularWeight: 449.46252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=NC=NC3=C2N=CN3C4C(CC(O4)CO)O)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CC1NC2=NC=NC3=C2N=CN3C4C(CC(O4)CO)O)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C22H23N7O4/c23-8-13-1-3-14(4-2-13)21(32)28-6-5-15(9-28)27-19-18-20(25-11-24-19)29(12-26-18)22-17(31)7-16(10-30)33-22/h1-4,11-12,15-17,22,30-31H,5-7,9-10H2,(H,24,25,27)