2-[2-(dipropylamino)ethylsulfanyl]-5-heptyl-6-oxidanyl-1-phenyl-pyrimidin-4-one

Systemtic Name: 2-[2-(dipropylamino)ethylsulfanyl]-5-heptyl-6-oxidanyl-1-phenyl-pyrimidin-4-one Openeye Name: 2-[2-(dipropylamino)ethylsulfanyl]-5-heptyl-6-hydroxy-1-phenyl-pyrimidin-4-one CAS Name: 2-[2-(dipropylamino)ethylthio]-5-heptyl-6-hydroxy-1-phenyl-4-pyrimidinone IUPAC Name: 2-[2-(dipropylamino)ethylsulfanyl]-5-heptyl-6-hydroxy-1-phenylpyrimidin-4-one Traditional Name: 2-[2-(dipropylamino)ethylthio]-5-heptyl-6-hydroxy-1-phenyl-pyrimidin-4-one Formula: C25H39N3O2S MolecularWeight: 445.66106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O2S/c1-4-7-8-9-13-16-22-23(29)26-25(31-20-19-27(17-5-2)18-6-3)28(24(22)30)21-14-11-10-12-15-21/h10-12,14-15,30H,4-9,13,16-20H2,1-3H3