(8Z)-8-[2-methyl-5-(pyridin-4-ylmethoxy)-1H-pyrazol-3-ylidene]-1,3-dipropyl-purine-2,6-dione

Systemtic Name: (8Z)-8-[2-methyl-5-(pyridin-4-ylmethoxy)-1H-pyrazol-3-ylidene]-1,3-dipropyl-purine-2,6-dione Openeye Name: (8Z)-8-[2-methyl-5-(4-pyridylmethoxy)-1H-pyrazol-3-ylidene]-1,3-dipropyl-purine-2,6-dione CAS Name: (8Z)-8-[2-methyl-5-(pyridin-4-ylmethoxy)-1H-pyrazol-3-ylidene]-1,3-dipropylpurine-2,6-dione IUPAC Name: (8Z)-8-[2-methyl-5-(pyridin-4-ylmethoxy)-1H-pyrazol-3-ylidene]-1,3-dipropylpurine-2,6-dione Traditional Name: (8Z)-8-[2-methyl-5-(4-pyridylmethoxy)-3-pyrazolin-3-ylidene]-1,3-dipropyl-xanthine Formula: C21H25N7O3 MolecularWeight: 423.4683

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=C3C=C(NN3C)OCC4=CC=NC=C4)N=C2C(=O)N(C1=O)CCC

Isomeric SMILES

CCCN1C2=N/C(=C\3/C=C(NN3C)OCC4=CC=NC=C4)/N=C2C(=O)N(C1=O)CCC

InChI

InChI=1S/C21H25N7O3/c1-4-10-27-19-17(20(29)28(11-5-2)21(27)30)23-18(24-19)15-12-16(25-26(15)3)31-13-14-6-8-22-9-7-14/h6-9,12,25H,4-5,10-11,13H2,1-3H3/b18-15-