3-[2,6-bis(oxidanylidene)-3-(phenylmethyl)-7-propyl-purin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2,6-bis(oxidanylidene)-3-(phenylmethyl)-7-propyl-purin-8-yl]benzenecarbonitrile Openeye Name: 3-(3-benzyl-2,6-dioxo-7-propyl-purin-8-yl)benzonitrile CAS Name: 3-[2,6-dioxo-3-(phenylmethyl)-7-propyl-8-purinyl]benzonitrile IUPAC Name: 3-(3-benzyl-2,6-dioxo-7-propylpurin-8-yl)benzonitrile Traditional Name: 3-(3-benzyl-2,6-diketo-7-propyl-purin-8-yl)benzonitrile Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC=CC(=C3)C#N)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC=CC(=C3)C#N)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2/c1-2-11-26-18-20(24-19(26)17-10-6-9-16(12-17)13-23)27(22(29)25-21(18)28)14-15-7-4-3-5-8-15/h3-10,12H,2,11,14H2,1H3,(H,25,28,29)