5-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanylpentanenitrile

Systemtic Name: 5-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanylpentanenitrile Openeye Name: 5-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylpentanenitrile CAS Name: 5-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]pentanenitrile IUPAC Name: 5-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylpentanenitrile Traditional Name: 5-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]valeronitrile Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCCC#N)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O2S/c1-22-16-15(17(25)23(2)19(22)26)24(13-14-9-5-3-6-10-14)18(21-16)27-12-8-4-7-11-20/h3,5-6,9-10H,4,7-8,12-13H2,1-2H3