6-azanyl-2-octylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-octylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-octylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-(octylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-octylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-(octylthio)-1H-pyrimidin-4-one Formula: C12H21N3OS MolecularWeight: 255.37964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=O)C=C(N1)N

Isomeric SMILES

CCCCCCCCSC1=NC(=O)C=C(N1)N

InChI

InChI=1S/C12H21N3OS/c1-2-3-4-5-6-7-8-17-12-14-10(13)9-11(16)15-12/h9H,2-8H2,1H3,(H3,13,14,15,16)