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

Systemtic Name: 8-[1-(phenylmethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-(phenylmethyl)-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C21H24N6O2 MolecularWeight: 392.45426

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24)