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3-cyclopentyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione

3-cyclopentyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione

Systemtic Name:3-cyclopentyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione
Openeye Name:8-(1-benzylpyrazol-4-yl)-3-cyclopentyl-7H-purine-2,6-dione
CAS Name:3-cyclopentyl-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione
IUPAC Name:8-(1-benzylpyrazol-4-yl)-3-cyclopentyl-7H-purine-2,6-dione
Traditional Name:8-(1-benzylpyrazol-4-yl)-3-cyclopentyl-7H-purine-2,6-quinone
Formula: C20H20N6O2
MolecularWeight: 376.4118
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=O)NC2=O)NC(=N3)C4=CN(N=C4)CC5=CC=CC=C5


Isomeric SMILES

C1CCC(C1)N2C3=C(C(=O)NC2=O)NC(=N3)C4=CN(N=C4)CC5=CC=CC=C5


InChI

InChI=1S/C20H20N6O2/c27-19-16-18(26(20(28)24-19)15-8-4-5-9-15)23-17(22-16)14-10-21-25(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,10,12,15H,4-5,8-9,11H2,(H,22,23)(H,24,27,28)


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