8-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[4-[2-(4-methyl-1-pyrazolyl)ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCCN4C=C(C=N4)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCCN4C=C(C=N4)C

InChI

InChI=1S/C23H28N6O3/c1-4-10-28-21-19(22(30)29(11-5-2)23(28)31)25-20(26-21)17-6-8-18(9-7-17)32-13-12-27-15-16(3)14-24-27/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,25,26)