7-cyclopentyl-2-phenyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one

Systemtic Name: 7-cyclopentyl-2-phenyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 7-cyclopentyl-2-phenyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 7-cyclopentyl-2-phenyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 7-cyclopentyl-2-phenyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 7-cyclopentyl-2-phenyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)C5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C20H22N6O/c1-2-12-25-19(27)15-18(22-16(21-15)13-10-6-7-11-13)26-20(25)23-17(24-26)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,21,22)