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

Systemtic Name: 1-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[(3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[(3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl]-1,2,4-triazole-3-carbonitrile Formula: C16H20N8O2 MolecularWeight: 356.3824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N8O2/c1-3-5-7-24-14-13(15(25)20-16(24)26)23(6-4-2)12(19-14)9-22-10-18-11(8-17)21-22/h10H,3-7,9H2,1-2H3,(H,20,25,26)