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

Systemtic Name: 1,3-bis(2-methylpropyl)-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-1,3-diisobutyl-7H-purine-2,6-dione CAS Name: 1,3-bis(2-methylpropyl)-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1,3-bis(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-1,3-diisobutyl-7H-purine-2,6-quinone Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC(C)C)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC(C)C)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N6O2/c1-15(2)11-28-21-19(22(30)29(23(28)31)12-16(3)4)25-20(26-21)18-10-24-27(14-18)13-17-8-6-5-7-9-17/h5-10,14-16H,11-13H2,1-4H3,(H,25,26)