2-[8-tert-butyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]ethanenitrile

Systemtic Name: 2-[8-tert-butyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]ethanenitrile Openeye Name: 2-(7-benzyl-8-tert-butyl-2,6-dioxo-1-propyl-purin-3-yl)acetonitrile CAS Name: 2-[8-tert-butyl-2,6-dioxo-7-(phenylmethyl)-1-propyl-3-purinyl]acetonitrile IUPAC Name: 2-(7-benzyl-8-tert-butyl-2,6-dioxo-1-propylpurin-3-yl)acetonitrile Traditional Name: 2-(7-benzyl-8-tert-butyl-2,6-diketo-1-propyl-purin-3-yl)acetonitrile Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CC#N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CC#N

InChI

InChI=1S/C21H25N5O2/c1-5-12-25-18(27)16-17(24(13-11-22)20(25)28)23-19(21(2,3)4)26(16)14-15-9-7-6-8-10-15/h6-10H,5,12-14H2,1-4H3