2-cyclopentylsulfanyl-5-methyl-6-phenethyl-1H-pyrimidin-4-one

Systemtic Name: 2-cyclopentylsulfanyl-5-methyl-6-phenethyl-1H-pyrimidin-4-one Openeye Name: 2-cyclopentylsulfanyl-5-methyl-6-phenethyl-1H-pyrimidin-4-one CAS Name: 2-(cyclopentylthio)-5-methyl-6-phenethyl-1H-pyrimidin-4-one IUPAC Name: 2-cyclopentylsulfanyl-5-methyl-6-phenethyl-1H-pyrimidin-4-one Traditional Name: 2-(cyclopentylthio)-5-methyl-6-phenethyl-1H-pyrimidin-4-one Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SC2CCCC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=NC1=O)SC2CCCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2OS/c1-13-16(12-11-14-7-3-2-4-8-14)19-18(20-17(13)21)22-15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,19,20,21)