2-(2-azanylethylsulfanylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 2-(2-azanylethylsulfanylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-(2-aminoethylsulfanylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 2-[(2-aminoethylthio)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-(2-aminoethylsulfanylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-[(2-aminoethylthio)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C9H12N4OS2 MolecularWeight: 256.34778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)SC(=N2)CSCCN

Isomeric SMILES

CC1=CC(=O)N2C(=N1)SC(=N2)CSCCN

InChI

InChI=1S/C9H12N4OS2/c1-6-4-8(14)13-9(11-6)16-7(12-13)5-15-3-2-10/h4H,2-3,5,10H2,1H3