6-methyl-2-pentylsulfanyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-pentylsulfanyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-pentylsulfanyl-5-(tetralin-6-ylmethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(pentylthio)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-pentylsulfanyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(amylthio)-6-methyl-5-(tetralin-6-ylmethyl)-1H-pyrimidin-4-one Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C)CC2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C)CC2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C21H28N2OS/c1-3-4-7-12-25-21-22-15(2)19(20(24)23-21)14-16-10-11-17-8-5-6-9-18(17)13-16/h10-11,13H,3-9,12,14H2,1-2H3,(H,22,23,24)