7-bromanyl-9-pentyl-3-pyrimidin-4-yl-6H-[1,2,4]triazolo[4,3-a]purin-5-one

Systemtic Name: 7-bromanyl-9-pentyl-3-pyrimidin-4-yl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Openeye Name: 7-bromo-9-pentyl-3-pyrimidin-4-yl-6H-[1,2,4]triazolo[4,3-a]purin-5-one CAS Name: 7-bromo-9-pentyl-3-(4-pyrimidinyl)-6H-[1,2,4]triazolo[4,3-a]purin-5-one IUPAC Name: 7-bromo-9-pentyl-3-pyrimidin-4-yl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Traditional Name: 9-amyl-7-bromo-3-(4-pyrimidyl)-6H-[1,2,4]triazolo[4,3-a]purin-5-one Formula: C15H15BrN8O MolecularWeight: 403.2366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N3C1=NN=C3C4=NC=NC=C4)NC(=N2)Br

Isomeric SMILES

CCCCCN1C2=C(C(=O)N3C1=NN=C3C4=NC=NC=C4)NC(=N2)Br

InChI

InChI=1S/C15H15BrN8O/c1-2-3-4-7-23-12-10(19-14(16)20-12)13(25)24-11(21-22-15(23)24)9-5-6-17-8-18-9/h5-6,8H,2-4,7H2,1H3,(H,19,20)