1-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl]-1,2,4-triazole-3-carbonitrile Formula: C15H18N8O2 MolecularWeight: 342.35582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C=NC(=N3)C#N)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C=NC(=N3)C#N)CC

InChI

InChI=1S/C15H18N8O2/c1-3-5-6-23-13-12(14(24)19-15(23)25)22(4-2)11(18-13)8-21-9-17-10(7-16)20-21/h9H,3-6,8H2,1-2H3,(H,19,24,25)