8-butyl-5-(4-chlorophenyl)-7,9a-dihydro-1H-[1,2,4]triazolo[5,1-f]purine

Systemtic Name: 8-butyl-5-(4-chlorophenyl)-7,9a-dihydro-1H-[1,2,4]triazolo[5,1-f]purine Openeye Name: 8-butyl-5-(4-chlorophenyl)-7,9a-dihydro-1H-[1,2,4]triazolo[5,1-f]purine CAS Name: 8-butyl-5-(4-chlorophenyl)-7,9a-dihydro-1H-[1,2,4]triazolo[5,1-f]purine IUPAC Name: 8-butyl-5-(4-chlorophenyl)-7,9a-dihydro-1H-[1,2,4]triazolo[5,1-f]purine Traditional Name: 8-butyl-5-(4-chlorophenyl)-7,9a-dihydro-1H-[1,2,4]triazolo[5,1-f]purine Formula: C16H17ClN6 MolecularWeight: 328.79938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2C3=C(N=CN3)N=C(N2N1)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=NC2C3=C(N=CN3)N=C(N2N1)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H17ClN6/c1-2-3-4-12-20-16-13-14(19-9-18-13)21-15(23(16)22-12)10-5-7-11(17)8-6-10/h5-9,16H,2-4H2,1H3,(H,18,19)(H,20,22)