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

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

Systemtic Name:3-butyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione
Openeye Name:8-(1-benzylpyrazol-4-yl)-3-butyl-7H-purine-2,6-dione
CAS Name:3-butyl-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione
IUPAC Name:8-(1-benzylpyrazol-4-yl)-3-butyl-7H-purine-2,6-dione
Traditional Name:8-(1-benzylpyrazol-4-yl)-3-butyl-7H-purine-2,6-quinone
Formula: C19H20N6O2
MolecularWeight: 364.4011
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4


Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4


InChI

InChI=1S/C19H20N6O2/c1-2-3-9-25-17-15(18(26)23-19(25)27)21-16(22-17)14-10-20-24(12-14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,22)(H,23,26,27)


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