2-cyclopentylsulfanyl-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-cyclopentylsulfanyl-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one Openeye Name: 2-cyclopentylsulfanyl-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one CAS Name: 2-(cyclopentylthio)-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one IUPAC Name: 2-cyclopentylsulfanyl-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-(cyclopentylthio)-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-4-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC2CCCC2)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC2CCCC2)COC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O2S/c1-12-15(11-21-13-7-3-2-4-8-13)16(20)19-17(18-12)22-14-9-5-6-10-14/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,18,19,20)