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

Systemtic Name: 8-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[(3-chlorophenyl)methyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-(3-chlorobenzyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C21H23ClN6O2 MolecularWeight: 426.89932

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H23ClN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25)