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

Systemtic Name: 6-azanyl-2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methylthio]-1H-pyrimidin-4-one Formula: C14H15N7OS MolecularWeight: 329.3802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)CSC3=NC(=O)C=C(N3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)CSC3=NC(=O)C=C(N3)N)C

InChI

InChI=1S/C14H15N7OS/c1-8-3-4-10(5-9(8)2)21-12(18-19-20-21)7-23-14-16-11(15)6-13(22)17-14/h3-6H,7H2,1-2H3,(H3,15,16,17,22)