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

Systemtic Name: 2-[2-(dipropylamino)ethylsulfanyl]-6-oxidanyl-1-phenyl-5-propyl-pyrimidin-4-one Openeye Name: 2-[2-(dipropylamino)ethylsulfanyl]-6-hydroxy-1-phenyl-5-propyl-pyrimidin-4-one CAS Name: 2-[2-(dipropylamino)ethylthio]-6-hydroxy-1-phenyl-5-propyl-4-pyrimidinone IUPAC Name: 2-[2-(dipropylamino)ethylsulfanyl]-6-hydroxy-1-phenyl-5-propylpyrimidin-4-one Traditional Name: 2-[2-(dipropylamino)ethylthio]-6-hydroxy-1-phenyl-5-propyl-pyrimidin-4-one Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=NC1=O)SCCN(CCC)CCC)C2=CC=CC=C2)O

Isomeric SMILES

CCCC1=C(N(C(=NC1=O)SCCN(CCC)CCC)C2=CC=CC=C2)O

InChI

InChI=1S/C21H31N3O2S/c1-4-10-18-19(25)22-21(27-16-15-23(13-5-2)14-6-3)24(20(18)26)17-11-8-7-9-12-17/h7-9,11-12,26H,4-6,10,13-16H2,1-3H3