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

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

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

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4


Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4


InChI

InChI=1S/C19H20N6O2/c1-12(2)9-25-17-15(18(26)23-19(25)27)21-16(22-17)14-8-20-24(11-14)10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)(H,23,26,27)


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