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

Systemtic Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-7H-purine-2,6-dione CAS Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-7H-purine-2,6-dione Traditional Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-(3-fluorobenzyl)pyrazol-4-yl]-7H-purine-2,6-quinone Formula: C21H21FN6O2 MolecularWeight: 408.428843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC3CC3)NC(=N2)C4=CN(N=C4)CC5=CC(=CC=C5)F

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC3CC3)NC(=N2)C4=CN(N=C4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C21H21FN6O2/c1-2-27-19-17(20(29)28(21(27)30)11-13-6-7-13)24-18(25-19)15-9-23-26(12-15)10-14-4-3-5-16(22)8-14/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,24,25)