2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(2-piperazin-1-ylethylamino)methylene]pyrazol-3-one CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-4-[[2-(1-piperazinyl)ethylamino]methylidene]-3-pyrazolone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(2-piperazinoethylamino)methylene]-2-pyrazolin-3-one Formula: C17H25N7O MolecularWeight: 343.4267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)C(=CNCCN3CCNCC3)C(=N2)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)C(=CNCCN3CCNCC3)C(=N2)C)C

InChI

InChI=1S/C17H25N7O/c1-12-10-13(2)21-17(20-12)24-16(25)15(14(3)22-24)11-19-6-9-23-7-4-18-5-8-23/h10-11,18-19H,4-9H2,1-3H3