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

Systemtic Name: 6-azanyl-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(1-propyltetrazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(1-propyl-5-tetrazolyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(1-propyltetrazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(1-propyltetrazol-5-yl)methylthio]-1H-pyrimidin-4-one Formula: C9H13N7OS MolecularWeight: 267.31082

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C9H13N7OS/c1-2-3-16-7(13-14-15-16)5-18-9-11-6(10)4-8(17)12-9/h4H,2-3,5H2,1H3,(H3,10,11,12,17)