2-(5-azanylidene-6-methyl-3,4-diphenyl-pyrimido[4,5-c]pyridazin-7-yl)sulfanyl-N-(methylcarbamoyl)ethanamide

Systemtic Name: 2-(5-azanylidene-6-methyl-3,4-diphenyl-pyrimido[4,5-c]pyridazin-7-yl)sulfanyl-N-(methylcarbamoyl)ethanamide Openeye Name: 2-(5-imino-6-methyl-3,4-diphenyl-pyrimido[4,5-c]pyridazin-7-yl)sulfanyl-N-(methylcarbamoyl)acetamide CAS Name: 2-[(5-imino-6-methyl-3,4-diphenyl-7-pyrimido[4,5-c]pyridazinyl)thio]-N-(methylcarbamoyl)acetamide IUPAC Name: 2-(5-imino-6-methyl-3,4-diphenylpyrimido[4,5-c]pyridazin-7-yl)sulfanyl-N-(methylcarbamoyl)acetamide Traditional Name: 2-[(5-imino-6-methyl-3,4-diphenyl-pyrimido[4,5-c]pyridazin-7-yl)thio]-N-(methylcarbamoyl)acetamide Formula: C23H21N7O2S MolecularWeight: 459.52354

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)CSC1=NC2=NN=C(C(=C2C(=N)N1C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)NC(=O)CSC1=NC2=NN=C(C(=C2C(=N)N1C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N7O2S/c1-25-22(32)26-16(31)13-33-23-27-21-18(20(24)30(23)2)17(14-9-5-3-6-10-14)19(28-29-21)15-11-7-4-8-12-15/h3-12,24H,13H2,1-2H3,(H2,25,26,31,32)