2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-hexan-2-yl]sulfanyl-6-ethyl-3-methyl-pyrimidin-4-one

Systemtic Name: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-hexan-2-yl]sulfanyl-6-ethyl-3-methyl-pyrimidin-4-one Openeye Name: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pentylsulfanyl]-6-ethyl-3-methyl-pyrimidin-4-one CAS Name: 2-[[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxohexan-2-yl]thio]-6-ethyl-3-methyl-4-pyrimidinone IUPAC Name: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxohexan-2-yl]sulfanyl-6-ethyl-3-methylpyrimidin-4-one Traditional Name: 6-ethyl-3-methyl-2-[1-(4-piperonylpiperazine-1-carbonyl)pentylthio]pyrimidin-4-one Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)SC4=NC(=CC(=O)N4C)CC

Isomeric SMILES

CCCCC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)SC4=NC(=CC(=O)N4C)CC

InChI

InChI=1S/C25H34N4O4S/c1-4-6-7-22(34-25-26-19(5-2)15-23(30)27(25)3)24(31)29-12-10-28(11-13-29)16-18-8-9-20-21(14-18)33-17-32-20/h8-9,14-15,22H,4-7,10-13,16-17H2,1-3H3