5-[(1-methylpiperidin-2-yl)methyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1-methylpiperidin-2-yl)methyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-methyl-2-piperidyl)methyl]-5-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-methyl-2-piperidinyl)methyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-methylpiperidin-2-yl)methyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-methyl-2-piperidyl)methyl]-5-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1CC2(C(=O)NC(=S)NC2=O)C3=CC=CC=C3

Isomeric SMILES

CN1CCCCC1CC2(C(=O)NC(=S)NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2S/c1-20-10-6-5-9-13(20)11-17(12-7-3-2-4-8-12)14(21)18-16(23)19-15(17)22/h2-4,7-8,13H,5-6,9-11H2,1H3,(H2,18,19,21,22,23)