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

Systemtic Name: 8-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-(m-tolylmethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[(3-methylphenyl)methyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-(3-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(=C4)C

Isomeric SMILES

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

InChI

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