2-[[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)methyl]benzonitrile CAS Name: 2-[[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)methyl]benzonitrile Traditional Name: 2-[(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)methyl]benzonitrile Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4C#N

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4C#N

InChI

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