2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N4O3S/c1-2-5-15-12-18(26)24-21(22-15)29-13-19(27)25-10-8-14(9-11-25)20-23-16-6-3-4-7-17(16)28-20/h3-4,6-7,12,14H,2,5,8-11,13H2,1H3,(H,22,24,26)