4-[(2R)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2R)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2R)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2R)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-2-hydroxy-propoxy]benzonitrile Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H](COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C17H17N5O4/c1-20-15-14(16(24)21(2)17(20)25)22(10-19-15)8-12(23)9-26-13-5-3-11(7-18)4-6-13/h3-6,10,12,23H,8-9H2,1-2H3/t12-/m1/s1