2-(3-phenylpropylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Systemtic Name: 2-(3-phenylpropylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-(3-phenylpropylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-(3-phenylpropylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-(3-phenylpropylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-(3-phenylpropylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)SCCCC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)SCCCC3=CC=CC=C3

InChI

InChI=1S/C16H18N2OS/c19-15-13-9-4-10-14(13)17-16(18-15)20-11-5-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,17,18,19)