5-[[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]methylidene]-1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]methylidene]-1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]methylene]-1-propyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]methylidene]-1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]methylidene]-1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]methylene]-1-propyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CNC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C)C(=O)NC1=S

Isomeric SMILES

CCCN1C(=O)C(=CNC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C)C(=O)NC1=S

InChI

InChI=1S/C21H25N5O2S/c1-5-11-25-19(28)15(18(27)23-20(25)29)13-22-17-12-16(21(2,3)4)24-26(17)14-9-7-6-8-10-14/h6-10,12-13,22H,5,11H2,1-4H3,(H,23,27,29)