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

Systemtic Name: 8-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-(o-tolylmethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-(2-methylbenzyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C22H26N6O2 MolecularWeight: 406.48084

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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=C4C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4C

InChI

InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-9-7-6-8-15(16)3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)