6-methyl-2-(3-methylbutylsulfanyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-(3-methylbutylsulfanyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-isopentylsulfanyl-6-methyl-5-(tetralin-6-ylmethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(3-methylbutylthio)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-(3-methylbutylsulfanyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(isoamylthio)-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:

CC1=C(C(=O)N=C(N1)SCCC(C)C)CC2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCC(C)C)CC2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C21H28N2OS/c1-14(2)10-11-25-21-22-15(3)19(20(24)23-21)13-16-8-9-17-6-4-5-7-18(17)12-16/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,22,23,24)