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

Systemtic Name: 8-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[(2-methoxyphenyl)methyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(1-o-anisylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C22H26N6O3 MolecularWeight: 422.48024

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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=C4OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4OC

InChI

InChI=1S/C22H26N6O3/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-8-6-7-9-17(15)31-3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)