4-[[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]pyrazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]pyrazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-pyrazolyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]methyl]benzonitrile Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H23N7O2/c1-3-9-28-20-18(21(30)29(10-4-2)22(28)31)25-19(26-20)17-12-24-27(14-17)13-16-7-5-15(11-23)6-8-16/h5-8,12,14H,3-4,9-10,13H2,1-2H3,(H,25,26)