1-[6-methyl-4-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]-1-phenyl-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[6-methyl-4-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]-1-phenyl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[6-methyl-1-phenyl-4-[4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl]-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-4-[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]-1-phenyl-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[6-methyl-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[6-methyl-1-phenyl-4-[4-(tetrahydrofuran-2-carbonyl)piperazino]-2-thioxo-pyrimidin-5-yl]ethanone Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CCCO4)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CCCO4)C(=O)C

InChI

InChI=1S/C22H26N4O3S/c1-15-19(16(2)27)20(23-22(30)26(15)17-7-4-3-5-8-17)24-10-12-25(13-11-24)21(28)18-9-6-14-29-18/h3-5,7-8,18H,6,9-14H2,1-2H3