1,3-dimethyl-6-[4-[3-(2-pyridin-2-ylcarbonylphenyl)sulfanylpropyl]piperazin-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[4-[3-(2-pyridin-2-ylcarbonylphenyl)sulfanylpropyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[4-[3-[2-(pyridine-2-carbonyl)phenyl]sulfanylpropyl]piperazin-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[4-[3-[[2-[oxo(2-pyridinyl)methyl]phenyl]thio]propyl]-1-piperazinyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-[3-[2-(pyridine-2-carbonyl)phenyl]sulfanylpropyl]piperazin-1-yl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[4-[3-[(2-picolinoylphenyl)thio]propyl]piperazino]pyrimidine-2,4-quinone Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCSC3=CC=CC=C3C(=O)C4=CC=CC=N4

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCSC3=CC=CC=C3C(=O)C4=CC=CC=N4

InChI

InChI=1S/C25H29N5O3S/c1-27-22(18-23(31)28(2)25(27)33)30-15-13-29(14-16-30)12-7-17-34-21-10-4-3-8-19(21)24(32)20-9-5-6-11-26-20/h3-6,8-11,18H,7,12-17H2,1-2H3