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

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-6-oxidanyl-5-pentyl-1-phenyl-pyrimidin-4-one Openeye Name: 2-(2-diethylaminoethylsulfanyl)-6-hydroxy-5-pentyl-1-phenyl-pyrimidin-4-one CAS Name: 2-(2-diethylaminoethylthio)-6-hydroxy-5-pentyl-1-phenyl-4-pyrimidinone IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-6-hydroxy-5-pentyl-1-phenylpyrimidin-4-one Traditional Name: 5-amyl-2-(2-diethylaminoethylthio)-6-hydroxy-1-phenyl-pyrimidin-4-one Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C(=NC1=O)SCCN(CC)CC)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCC1=C(N(C(=NC1=O)SCCN(CC)CC)C2=CC=CC=C2)O

InChI

InChI=1S/C21H31N3O2S/c1-4-7-9-14-18-19(25)22-21(27-16-15-23(5-2)6-3)24(20(18)26)17-12-10-8-11-13-17/h8,10-13,26H,4-7,9,14-16H2,1-3H3