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2-(7-phenylheptylsulfanyl)-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
2-(7-phenylheptylsulfanyl)-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C=C1)CCCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3
Isomeric SMILES
C1=CC=C(C=C1)CCCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3
InChI
InChI=1S/C23H27N3OS/c27-22-21(16-20-13-9-14-24-17-20)18-25-23(26-22)28-15-8-3-1-2-5-10-19-11-6-4-7-12-19/h4,6-7,9,11-14,17-18H,1-3,5,8,10,15-16H2,(H,25,26,27)
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- tert-butyl N-[2-[4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-1-yl]ethyl]carbamate
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