4H-Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-4-methyl-6-(methylthio)-, 1,1-dioxide

HCID 73004

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Basic information

CAS: 74039-27-3
Standard SMILES: CSc1nc(N)c2c(n1)N(C)C=NS2(=O)=O
InChIKey: IHMDDIHFHVUQEH-UHFFFAOYSA-N
Molecular formula: C7H9N5O2S2
Average molar mass: 259.3 g/mol
Monoisotopic mass: 259.01976689

Names & identifiers

Preferred name: 4H-Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-4-methyl-6-(methylthio)-, 1,1-dioxide
IUPAC: 4-methyl-6-methylsulfanyl-1,1-dioxopyrimido[4,5-e][1,2,4]thiadiazin-8-amine

Names & synonyms

74039-27-34H-Pyrimido(4,5-e)-1,2,4-thiadiazine, 8-amino-4-methyl-6-(methylthio)-, 1,1-dioxideDTXSID60224922RefChem:1072056DTXCID90147413NSC853104H-Pyrimido[4,5-e]-1,2,4-thiadiazin-8-amine, 4-methyl-6-(methylthio)-, 1,1-dioxideMLS0026946168-Amino-4-methyl-6-(methylthio)-4H-pyrimido(4,5-e)(1,2,4)thiadiazine 1,1-dioxide4H-Pyrimido(4,5-e)-1,2,4-thiadiazin-8-amine, 4-methyl-6-(methylthio)-, 1,1-dioxideNSC 85310Thiadiazine der.

Show more names

8-Amino-4-methyl-6-(methylthio)-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxideNCIOpen2_004934CHEMBL3189068HMS3094G17NSC-85310SMR001560541WLN: T66 BSWN EN GN INJ E1 HS1 JZ4-methyl-6-methylsulfanyl-1,1-dioxo-pyrimido[4,5-e][1,2,4]thiadiazin-8-amine

Database identifiers

CAS: 74039-27-3
PubChem CID: 73004
DTXSID: DTXSID60224922
ChEMBL: CHEMBL3189068

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 135 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 392

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