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

Systemtic Name: 6-azanyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(1-phenyl-5-tetrazolyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(1-phenyltetrazol-5-yl)methylthio]-1H-pyrimidin-4-one Formula: C12H11N7OS MolecularWeight: 301.32704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C12H11N7OS/c13-9-6-11(20)15-12(14-9)21-7-10-16-17-18-19(10)8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,20)