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8-(1-phenethylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione

8-(1-phenethylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name:8-(1-phenethylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione
Openeye Name:8-(1-phenethylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione
CAS Name:8-(1-phenethyl-4-pyrazolyl)-1,3-dipropyl-7H-purine-2,6-dione
IUPAC Name:8-(1-phenethylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione
Traditional Name:8-(1-phenethylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-quinone
Formula: C22H26N6O2
MolecularWeight: 406.48084
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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CCC4=CC=CC=C4


Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CCC4=CC=CC=C4


InChI

InChI=1S/C22H26N6O2/c1-3-11-27-20-18(21(29)28(12-4-2)22(27)30)24-19(25-20)17-14-23-26(15-17)13-10-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,25)


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