3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C19H27N8O3- MolecularWeight: 415.46948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=NC3=NC=NN3)[O-]

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C19H28N8O3/c1-3-5-7-11-26-13(8-9-14(28)23-18-20-12-21-25-18)22-16-15(26)17(29)24-19(30)27(16)10-6-4-2/h12H,3-11H2,1-2H3,(H,24,29,30)(H2,20,21,23,25,28)/p-1