5-[3-(4-dimethylaminophenyl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[3-(4-dimethylaminophenyl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[2-acetyl-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-5-yl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[2-acetyl-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[2-acetyl-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[1-acetyl-5-(4-dimethylaminophenyl)-2-pyrazolin-3-yl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2C(=O)NC(=S)NC2=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2C(=O)NC(=S)NC2=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C17H19N5O3S/c1-9(23)22-13(10-4-6-11(7-5-10)21(2)3)8-12(20-22)14-15(24)18-17(26)19-16(14)25/h4-7,13-14H,8H2,1-3H3,(H2,18,19,24,25,26)