8-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-pentyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-pentyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-pentyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[1-[(3-chlorophenyl)methyl]-4-pyrazolyl]-1-pentyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-pentyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-amyl-8-[1-(3-chlorobenzyl)pyrazol-4-yl]-7H-xanthine Formula: C20H21ClN6O2 MolecularWeight: 412.87274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H21ClN6O2/c1-2-3-4-8-27-19(28)16-18(25-20(27)29)24-17(23-16)14-10-22-26(12-14)11-13-6-5-7-15(21)9-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,23,24)(H,25,29)