7-butyl-8-(1-methylpyrazol-4-yl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-8-(1-methylpyrazol-4-yl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-(1-methylpyrazol-4-yl)purine-2,6-dione CAS Name: 7-butyl-8-(1-methyl-4-pyrazolyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-(1-methylpyrazol-4-yl)purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-(1-methylpyrazol-4-yl)xanthine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CN(N=C3)C)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CN(N=C3)C)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

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