1-(2-phenyl-6-pyrrolidin-1-yl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone

Systemtic Name: 1-(2-phenyl-6-pyrrolidin-1-yl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone Openeye Name: 1-(2-phenyl-6-pyrrolidin-1-yl-4-thioxo-1H-pyrimidin-5-yl)ethanone CAS Name: 1-[2-phenyl-6-(1-pyrrolidinyl)-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-(2-phenyl-6-pyrrolidin-1-yl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone Traditional Name: 1-(2-phenyl-6-pyrrolidino-4-thioxo-1H-pyrimidin-5-yl)ethanone Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C16H17N3OS/c1-11(20)13-15(19-9-5-6-10-19)17-14(18-16(13)21)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,17,18,21)