3-[[2,6-bis(oxidanylidene)-3-phenyl-1-prop-2-enyl-purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2,6-bis(oxidanylidene)-3-phenyl-1-prop-2-enyl-purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(1-allyl-2,6-dioxo-3-phenyl-purin-7-yl)methyl]benzonitrile CAS Name: 3-[(2,6-dioxo-3-phenyl-1-prop-2-enyl-7-purinyl)methyl]benzonitrile IUPAC Name: 3-[(2,6-dioxo-3-phenyl-1-prop-2-enylpurin-7-yl)methyl]benzonitrile Traditional Name: 3-[(1-allyl-2,6-diketo-3-phenyl-purin-7-yl)methyl]benzonitrile Formula: C22H17N5O2 MolecularWeight: 383.40268

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=CN2CC3=CC=CC(=C3)C#N)N(C1=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=CN2CC3=CC=CC(=C3)C#N)N(C1=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O2/c1-2-11-26-21(28)19-20(27(22(26)29)18-9-4-3-5-10-18)24-15-25(19)14-17-8-6-7-16(12-17)13-23/h2-10,12,15H,1,11,14H2