1-(3-methoxypropyl)-4-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

Systemtic Name: 1-(3-methoxypropyl)-4-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Openeye Name: 4-benzylsulfanyl-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one CAS Name: 1-(3-methoxypropyl)-4-(phenylmethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one IUPAC Name: 4-benzylsulfanyl-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Traditional Name: 4-(benzylthio)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(CCC2)C(=NC1=O)SCC3=CC=CC=C3

Isomeric SMILES

COCCCN1C2=C(CCC2)C(=NC1=O)SCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O2S/c1-22-12-6-11-20-16-10-5-9-15(16)17(19-18(20)21)23-13-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3