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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H20N6O2/c1-3-24-17-15(18(26)25(4-2)19(24)27)21-16(22-17)14-10-20-23(12-14)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)