2-[1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]sulfanyl-6-ethyl-3-methyl-pyrimidin-4-one

Systemtic Name: 2-[1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]sulfanyl-6-ethyl-3-methyl-pyrimidin-4-one Openeye Name: 2-[1-(4-benzhydrylpiperazine-1-carbonyl)propylsulfanyl]-6-ethyl-3-methyl-pyrimidin-4-one CAS Name: 2-[[1-[4-(diphenylmethyl)-1-piperazinyl]-1-oxobutan-2-yl]thio]-6-ethyl-3-methyl-4-pyrimidinone IUPAC Name: 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxobutan-2-yl]sulfanyl-6-ethyl-3-methylpyrimidin-4-one Traditional Name: 2-[1-(4-benzhydrylpiperazine-1-carbonyl)propylthio]-6-ethyl-3-methyl-pyrimidin-4-one Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N(C(=N1)SC(CC)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC(=O)N(C(=N1)SC(CC)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H34N4O2S/c1-4-23-20-25(33)30(3)28(29-23)35-24(5-2)27(34)32-18-16-31(17-19-32)26(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,24,26H,4-5,16-19H2,1-3H3