2-(2-diethylaminoethylsulfanyl)-5-heptyl-6-oxidanyl-1-phenyl-pyrimidin-4-one

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-5-heptyl-6-oxidanyl-1-phenyl-pyrimidin-4-one Openeye Name: 2-(2-diethylaminoethylsulfanyl)-5-heptyl-6-hydroxy-1-phenyl-pyrimidin-4-one CAS Name: 2-(2-diethylaminoethylthio)-5-heptyl-6-hydroxy-1-phenyl-4-pyrimidinone IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-5-heptyl-6-hydroxy-1-phenylpyrimidin-4-one Traditional Name: 2-(2-diethylaminoethylthio)-5-heptyl-6-hydroxy-1-phenyl-pyrimidin-4-one Formula: C23H35N3O2S MolecularWeight: 417.6079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N(C(=NC1=O)SCCN(CC)CC)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCC1=C(N(C(=NC1=O)SCCN(CC)CC)C2=CC=CC=C2)O

InChI

InChI=1S/C23H35N3O2S/c1-4-7-8-9-13-16-20-21(27)24-23(29-18-17-25(5-2)6-3)26(22(20)28)19-14-11-10-12-15-19/h10-12,14-15,28H,4-9,13,16-18H2,1-3H3