6-azanyl-5-cyclohexyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-5-cyclohexyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-amino-2-benzylsulfanyl-5-cyclohexyl-1H-pyrimidin-4-one CAS Name: 6-amino-5-cyclohexyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-benzylsulfanyl-5-cyclohexyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-(benzylthio)-5-cyclohexyl-1H-pyrimidin-4-one Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(NC(=NC2=O)SCC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(CC1)C2=C(NC(=NC2=O)SCC3=CC=CC=C3)N

InChI

InChI=1S/C17H21N3OS/c18-15-14(13-9-5-2-6-10-13)16(21)20-17(19-15)22-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H3,18,19,20,21)