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

Systemtic Name: 1-butan-2-yl-3-methyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-methyl-1-sec-butyl-7H-purine-2,6-dione CAS Name: 1-butan-2-yl-3-methyl-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1-butan-2-yl-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-methyl-1-sec-butyl-7H-purine-2,6-quinone Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCC(C)N1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C20H22N6O2/c1-4-13(2)26-19(27)16-18(24(3)20(26)28)23-17(22-16)15-10-21-25(12-15)11-14-8-6-5-7-9-14/h5-10,12-13H,4,11H2,1-3H3,(H,22,23)