2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(1-phenyl-5-tetrazolyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(1-phenyltetrazol-5-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C15H16N6OS/c1-2-6-11-9-14(22)17-15(16-11)23-10-13-18-19-20-21(13)12-7-4-3-5-8-12/h3-5,7-9H,2,6,10H2,1H3,(H,16,17,22)