3-phenethyl-1-propyl-8-[[2-(1H-pyrazol-5-yl)phenyl]methyl]-7H-purine-2,6-dione

Systemtic Name: 3-phenethyl-1-propyl-8-[[2-(1H-pyrazol-5-yl)phenyl]methyl]-7H-purine-2,6-dione Openeye Name: 3-phenethyl-1-propyl-8-[[2-(1H-pyrazol-5-yl)phenyl]methyl]-7H-purine-2,6-dione CAS Name: 3-phenethyl-1-propyl-8-[[2-(1H-pyrazol-5-yl)phenyl]methyl]-7H-purine-2,6-dione IUPAC Name: 3-phenethyl-1-propyl-8-[[2-(1H-pyrazol-5-yl)phenyl]methyl]-7H-purine-2,6-dione Traditional Name: 3-phenethyl-1-propyl-8-[2-(1H-pyrazol-5-yl)benzyl]-7H-purine-2,6-quinone Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3C4=CC=NN4)N(C1=O)CCC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3C4=CC=NN4)N(C1=O)CCC5=CC=CC=C5

InChI

InChI=1S/C26H26N6O2/c1-2-15-32-25(33)23-24(31(26(32)34)16-13-18-8-4-3-5-9-18)29-22(28-23)17-19-10-6-7-11-20(19)21-12-14-27-30-21/h3-12,14H,2,13,15-17H2,1H3,(H,27,30)(H,28,29)