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

Systemtic Name: 3-cyclohexyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-cyclohexyl-7H-purine-2,6-dione CAS Name: 3-cyclohexyl-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-cyclohexyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-cyclohexyl-7H-purine-2,6-quinone Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C(=O)NC2=O)NC(=N3)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C(=O)NC2=O)NC(=N3)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C21H22N6O2/c28-20-17-19(27(21(29)25-20)16-9-5-2-6-10-16)24-18(23-17)15-11-22-26(13-15)12-14-7-3-1-4-8-14/h1,3-4,7-8,11,13,16H,2,5-6,9-10,12H2,(H,23,24)(H,25,28,29)