2-[4-(3-phenylpropoxy)butylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[4-(3-phenylpropoxy)butylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[4-(3-phenylpropoxy)butylsulfanyl]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[4-(3-phenylpropoxy)butylthio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[4-(3-phenylpropoxy)butylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[4-(3-phenylpropoxy)butylthio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C23H27N3O2S/c27-22-21(16-20-10-6-12-24-17-20)18-25-23(26-22)29-15-5-4-13-28-14-7-11-19-8-2-1-3-9-19/h1-3,6,8-10,12,17-18H,4-5,7,11,13-16H2,(H,25,26,27)