2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methylthio]-4,5,6-trimethyl-nicotinonitrile Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC(=C(C(=C3C#N)C)C)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC(=C(C(=C3C#N)C)C)C)CC

InChI

InChI=1S/C21H26N6O2S/c1-6-8-9-27-18-17(19(28)25-21(27)29)26(7-2)16(24-18)11-30-20-15(10-22)13(4)12(3)14(5)23-20/h6-9,11H2,1-5H3,(H,25,28,29)