8-(5-methyl-1-phenyl-pyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(5-methyl-1-phenyl-pyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(5-methyl-1-phenyl-pyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(5-methyl-1-phenyl-4-pyrazolyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(5-methyl-1-phenylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(5-methyl-1-phenyl-pyrazol-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=C(N(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/c1-4-11-25-19-17(20(28)26(12-5-2)21(25)29)23-18(24-19)16-13-22-27(14(16)3)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,23,24)