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

Systemtic Name: 1-ethyl-3-methyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-1-ethyl-3-methyl-7H-purine-2,6-dione CAS Name: 1-ethyl-3-methyl-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1-ethyl-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-1-ethyl-3-methyl-7H-purine-2,6-quinone Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C18H18N6O2/c1-3-24-17(25)14-16(22(2)18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,20,21)