8-chloranyl-6-pentyl-3-pyrimidin-4-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one

Systemtic Name: 8-chloranyl-6-pentyl-3-pyrimidin-4-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 8-chloro-6-pentyl-3-pyrimidin-4-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 8-chloro-6-pentyl-3-(4-pyrimidinyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 8-chloro-6-pentyl-3-pyrimidin-4-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 6-amyl-8-chloro-3-(4-pyrimidyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C15H15ClN8O MolecularWeight: 358.7856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=NC(=NC2=C3NN=C(N3C1=O)C4=NC=NC=C4)Cl

Isomeric SMILES

CCCCCN1C2=NC(=NC2=C3NN=C(N3C1=O)C4=NC=NC=C4)Cl

InChI

InChI=1S/C15H15ClN8O/c1-2-3-4-7-23-12-10(19-14(16)20-12)13-22-21-11(24(13)15(23)25)9-5-6-17-8-18-9/h5-6,8,22H,2-4,7H2,1H3