2-[1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-pentan-2-yl]sulfanyl-3,6-dimethyl-pyrimidin-4-one

Systemtic Name: 2-[1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-pentan-2-yl]sulfanyl-3,6-dimethyl-pyrimidin-4-one Openeye Name: 2-[1-(4-benzhydrylpiperazine-1-carbonyl)butylsulfanyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[[1-[4-(diphenylmethyl)-1-piperazinyl]-1-oxopentan-2-yl]thio]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopentan-2-yl]sulfanyl-3,6-dimethylpyrimidin-4-one Traditional Name: 2-[1-(4-benzhydrylpiperazine-1-carbonyl)butylthio]-3,6-dimethyl-pyrimidin-4-one Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=NC(=CC(=O)N4C)C

Isomeric SMILES

CCCC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=NC(=CC(=O)N4C)C

InChI

InChI=1S/C28H34N4O2S/c1-4-11-24(35-28-29-21(2)20-25(33)30(28)3)27(34)32-18-16-31(17-19-32)26(22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-15,20,24,26H,4,11,16-19H2,1-3H3