The Biofilms Structural Database

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2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate

5EP3

Code

5QT

Name

2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate

Molecular Weight

272.32

Isomeric SMILES

CC(C)(C)COC(=O)CNc1n[nH]c(=O)[nH]c1=S

Formula

C10H16N4O3S

Identifiers

2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate

Formal Charge

0

InChI

InChI=1S/C10H16N4O3S/c1-10(2,3)5-17-6(15)4-11-7-8(18)12-9(16)14-13-7/h4-5H2,1-3H3,(H,11,13)(H2,12,14,16,18)

Atom Count

34

InChIKey

REFYLRHEWINELP-UHFFFAOYSA-N

PDB codes

5EP3

Type

NON-POLYMER

Chiral Atom Count

0

Chiral Atoms

n/a

Bond Count

34

Aromatic Bond Count

0

Leaving Atoms

n/a