1-(3-methylphenyl)-5-[[(4-methylpiperazin-1-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-methylphenyl)-5-[[(4-methylpiperazin-1-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[(4-methylpiperazin-1-yl)amino]methylene]-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-methylphenyl)-5-[[(4-methyl-1-piperazinyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-methylphenyl)-5-[[(4-methylpiperazin-1-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(4-methylpiperazino)amino]methylene]-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CNN3CCN(CC3)C)C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CNN3CCN(CC3)C)C(=O)NC2=S

InChI

InChI=1S/C17H21N5O2S/c1-12-4-3-5-13(10-12)22-16(24)14(15(23)19-17(22)25)11-18-21-8-6-20(2)7-9-21/h3-5,10-11,18H,6-9H2,1-2H3,(H,19,23,25)